 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer021_B3LYPDBJ-augccpVDZr.in
 Output=08_d-glucose_conformer021_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/Gau-6027.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      6029.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=08_d-glucose_conformer021_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 11:12:40 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer021_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 11:12:40 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Mon Sep 27 11:12:41 2021, MaxMem=  6442450944 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  36 primitive shells out of 432 were deleted.
 There are   408 symmetry adapted cartesian basis functions of A   symmetry.
 There are   384 symmetry adapted basis functions of A   symmetry.
   384 basis functions,   708 primitive gaussians,   408 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0394411670 Hartrees.
 Nuclear repulsion after empirical dispersion term =      832.2132010642 Hartrees.
 Leave Link  301 at Mon Sep 27 11:12:45 2021, MaxMem=  6442450944 cpu:              24.5 elap:               3.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   384 RedAO= T EigKep=  5.61D-06  NBF=   384
 NBsUse=   384 1.00D-06 EigRej= -1.00D+00 NBFU=   384
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   408   408   408   408   408 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Mon Sep 27 11:12:47 2021, MaxMem=  6442450944 cpu:              14.7 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 11:12:48 2021, MaxMem=  6442450944 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer021_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 11:12:49 2021, MaxMem=  6442450944 cpu:               6.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442110836 LenY=  6441943931
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -687.324794534173    
 DIIS: error= 2.17D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -687.324794534173     IErMin= 1 ErrMin= 2.17D-03
 ErrMax= 2.17D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.39D-03 BMatP= 9.39D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.17D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.285 Goal=   None    Shift=    0.000
 GapD=    0.285 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.29D-02 MaxDP=8.71D-01              OVMax= 2.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.29D-02    CP:  1.04D+00
 E= -687.334215671600     Delta-E=       -0.009421137428 Rises=F Damp=F
 DIIS: error= 3.00D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -687.334215671600     IErMin= 2 ErrMin= 3.00D-04
 ErrMax= 3.00D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-04 BMatP= 9.39D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.00D-03
 Coeff-Com: -0.734D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.732D-03 0.100D+01
 Gap=     0.258 Goal=   None    Shift=    0.000
 RMSDP=6.88D-04 MaxDP=5.42D-02 DE=-9.42D-03 OVMax= 3.04D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.58D-04    CP:  1.03D+00  1.03D+00
 E= -687.334069669655     Delta-E=        0.000146001946 Rises=F Damp=F
 DIIS: error= 4.33D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -687.334215671600     IErMin= 2 ErrMin= 3.00D-04
 ErrMax= 4.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-04 BMatP= 1.99D-04
 IDIUse=3 WtCom= 3.25D-01 WtEn= 6.75D-01
 Coeff-Com: -0.147D-01 0.611D+00 0.403D+00
 Coeff-En:   0.000D+00 0.646D+00 0.354D+00
 Coeff:     -0.478D-02 0.635D+00 0.370D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=9.31D-05 MaxDP=9.46D-03 DE= 1.46D-04 OVMax= 1.92D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.69D-05    CP:  1.03D+00  1.03D+00  9.28D-01
 E= -687.334378810167     Delta-E=       -0.000309140512 Rises=F Damp=F
 DIIS: error= 3.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -687.334378810167     IErMin= 4 ErrMin= 3.80D-05
 ErrMax= 3.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-06 BMatP= 1.99D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.455D-02 0.148D+00 0.729D-01 0.784D+00
 Coeff:     -0.455D-02 0.148D+00 0.729D-01 0.784D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=2.78D-05 MaxDP=1.53D-03 DE=-3.09D-04 OVMax= 2.85D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.81D-05    CP:  1.03D+00  1.03D+00  9.51D-01  1.14D+00
 E= -687.334379942069     Delta-E=       -0.000001131903 Rises=F Damp=F
 DIIS: error= 2.21D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -687.334379942069     IErMin= 5 ErrMin= 2.21D-05
 ErrMax= 2.21D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.16D-07 BMatP= 1.75D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-02 0.156D-01-0.211D-02 0.402D+00 0.586D+00
 Coeff:     -0.103D-02 0.156D-01-0.211D-02 0.402D+00 0.586D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=9.98D-06 MaxDP=6.13D-04 DE=-1.13D-06 OVMax= 1.15D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.96D-06    CP:  1.03D+00  1.03D+00  9.62D-01  1.15D+00  7.19D-01
 E= -687.334380507126     Delta-E=       -0.000000565057 Rises=F Damp=F
 DIIS: error= 2.74D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -687.334380507126     IErMin= 6 ErrMin= 2.74D-06
 ErrMax= 2.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-08 BMatP= 6.16D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.605D-04-0.516D-02-0.610D-02 0.109D+00 0.243D+00 0.659D+00
 Coeff:     -0.605D-04-0.516D-02-0.610D-02 0.109D+00 0.243D+00 0.659D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=2.21D-04 DE=-5.65D-07 OVMax= 2.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.27D-06    CP:  1.03D+00  1.03D+00  9.64D-01  1.16D+00  7.49D-01
                    CP:  8.88D-01
 E= -687.334380528247     Delta-E=       -0.000000021120 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -687.334380528247     IErMin= 7 ErrMin= 1.20D-06
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-09 BMatP= 2.61D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.396D-04-0.373D-02-0.287D-02 0.331D-01 0.908D-01 0.341D+00
 Coeff-Com:  0.542D+00
 Coeff:      0.396D-04-0.373D-02-0.287D-02 0.331D-01 0.908D-01 0.341D+00
 Coeff:      0.542D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=4.86D-07 MaxDP=3.50D-05 DE=-2.11D-08 OVMax= 1.21D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.33D-07    CP:  1.03D+00  1.03D+00  9.65D-01  1.16D+00  7.57D-01
                    CP:  8.83D-01  9.75D-01
 E= -687.334380530348     Delta-E=       -0.000000002102 Rises=F Damp=F
 DIIS: error= 4.07D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -687.334380530348     IErMin= 8 ErrMin= 4.07D-07
 ErrMax= 4.07D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-10 BMatP= 3.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-04-0.977D-03-0.360D-03 0.130D-02 0.973D-02 0.741D-01
 Coeff-Com:  0.267D+00 0.649D+00
 Coeff:      0.216D-04-0.977D-03-0.360D-03 0.130D-02 0.973D-02 0.741D-01
 Coeff:      0.267D+00 0.649D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=1.91D-05 DE=-2.10D-09 OVMax= 3.05D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.23D-07    CP:  1.03D+00  1.03D+00  9.65D-01  1.16D+00  7.55D-01
                    CP:  8.92D-01  9.79D-01  9.23D-01
 E= -687.334380530604     Delta-E=       -0.000000000256 Rises=F Damp=F
 DIIS: error= 6.62D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -687.334380530604     IErMin= 9 ErrMin= 6.62D-08
 ErrMax= 6.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-11 BMatP= 2.98D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.581D-05-0.153D-03 0.570D-04-0.145D-02-0.156D-02 0.962D-02
 Coeff-Com:  0.760D-01 0.262D+00 0.655D+00
 Coeff:      0.581D-05-0.153D-03 0.570D-04-0.145D-02-0.156D-02 0.962D-02
 Coeff:      0.760D-01 0.262D+00 0.655D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=4.10D-08 MaxDP=2.90D-06 DE=-2.56D-10 OVMax= 5.63D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.01D-08    CP:  1.03D+00  1.03D+00  9.65D-01  1.16D+00  7.55D-01
                    CP:  8.93D-01  9.92D-01  9.09D-01  8.56D-01
 E= -687.334380530649     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.83D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -687.334380530649     IErMin=10 ErrMin= 1.83D-08
 ErrMax= 1.83D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.75D-13 BMatP= 1.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.164D-05-0.240D-04 0.438D-04-0.769D-03-0.115D-02 0.736D-03
 Coeff-Com:  0.210D-01 0.851D-01 0.298D+00 0.597D+00
 Coeff:      0.164D-05-0.240D-04 0.438D-04-0.769D-03-0.115D-02 0.736D-03
 Coeff:      0.210D-01 0.851D-01 0.298D+00 0.597D+00
 Gap=     0.256 Goal=   None    Shift=    0.000
 RMSDP=9.56D-09 MaxDP=8.72D-07 DE=-4.50D-11 OVMax= 1.62D-07

 SCF Done:  E(RB3LYP) =  -687.334380531     A.U. after   10 cycles
            NFock= 10  Conv=0.96D-08     -V/T= 2.0057
 KE= 6.834403512463D+02 PE=-3.277074105531D+03 EE= 1.074086172690D+03
 Leave Link  502 at Mon Sep 27 11:16:36 2021, MaxMem=  6442450944 cpu:            1770.3 elap:             226.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   384
 NBasis=   384 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    384 NOA=    48 NOB=    48 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.76973513D+02

 Leave Link  801 at Mon Sep 27 11:16:36 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7447 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.69D-13 8.33D-09 XBig12= 1.00D+00 1.72D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.69D-13 8.33D-09 XBig12= 1.87D-01 5.09D-02.
     11 vectors produced by pass  2 Test12= 2.69D-13 8.33D-09 XBig12= 5.04D-02 3.05D-02.
     11 vectors produced by pass  3 Test12= 2.69D-13 8.33D-09 XBig12= 4.10D-03 8.73D-03.
     11 vectors produced by pass  4 Test12= 2.69D-13 8.33D-09 XBig12= 6.39D-04 2.79D-03.
     11 vectors produced by pass  5 Test12= 2.69D-13 8.33D-09 XBig12= 4.33D-05 9.89D-04.
     11 vectors produced by pass  6 Test12= 2.69D-13 8.33D-09 XBig12= 1.09D-06 1.13D-04.
     11 vectors produced by pass  7 Test12= 2.69D-13 8.33D-09 XBig12= 3.68D-08 1.46D-05.
     11 vectors produced by pass  8 Test12= 2.69D-13 8.33D-09 XBig12= 7.76D-10 2.30D-06.
      8 vectors produced by pass  9 Test12= 2.69D-13 8.33D-09 XBig12= 8.07D-12 2.59D-07.
      3 vectors produced by pass 10 Test12= 2.69D-13 8.33D-09 XBig12= 9.06D-14 2.17D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.113169D+03
      2  0.122054D+01  0.106023D+03
      3 -0.182912D+01  0.219935D+00  0.889215D+02
 Isotropic polarizability for W=    0.088559      102.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.191888D+02 -0.138475D+02  0.136317D+02
      2  -0.226747D+02  0.112235D+02  0.988067D+01
      3   0.348594D+01  0.262395D+01 -0.235123D+02
      4  -0.159842D+02 -0.116349D+02 -0.112745D+02
      5  -0.989647D+01 -0.102494D+02  0.291539D+02
      6  -0.837659D+01 -0.118643D+02 -0.637192D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.189632D+01 -0.872412D+01 -0.130228D+01
      2   0.126365D+02 -0.346247D+01  0.146501D+02
      3   0.252305D+01 -0.748512D+01  0.171711D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.102514D+01 -0.217450D+02  0.899587D+01
      2   0.235281D+02 -0.289791D+01  0.256679D+02
      3  -0.213673D+01 -0.110398D+02  0.187277D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.616394D+00 -0.755211D+00  0.552199D+00
      2  -0.755211D+00  0.108224D+01  0.372655D-01
      3   0.552199D+00  0.372655D-01 -0.314880D+00
 OR G Eigenvalues:    -1.2176    -0.0174     1.3860  Iso=    -0.0503
 Eigenvectors:
   (1)   0.814840   0.275840  -0.509851
   (2)   0.441625   0.274343   0.854227
   (3)  -0.375504   0.921221  -0.101728
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0503 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -14.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   73920 ScalPx= 1.93D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.48D-14 2.78D-09 XBig12= 1.00D+00 3.52D-01.
     30 vectors produced by pass  1 Test12= 4.48D-14 2.78D-09 XBig12= 7.73D-02 2.24D-02.
     30 vectors produced by pass  2 Test12= 4.48D-14 2.78D-09 XBig12= 1.36D-03 4.45D-03.
     30 vectors produced by pass  3 Test12= 4.48D-14 2.78D-09 XBig12= 2.62D-05 3.94D-04.
     30 vectors produced by pass  4 Test12= 4.48D-14 2.78D-09 XBig12= 1.81D-07 3.82D-05.
     30 vectors produced by pass  5 Test12= 4.48D-14 2.78D-09 XBig12= 1.29D-09 3.58D-06.
     30 vectors produced by pass  6 Test12= 4.48D-14 2.78D-09 XBig12= 4.56D-12 1.38D-07.
     15 vectors produced by pass  7 Test12= 4.48D-14 2.78D-09 XBig12= 1.42D-14 7.99D-09.
      1 vectors produced by pass  8 Test12= 4.48D-14 2.78D-09 XBig12= 6.94D-16 3.08D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   226 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.92D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   73920 ScalPx= 3.92D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   73920 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.94D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113169D+03  0.122054D+01 -0.182912D+01
      2   0.122054D+01  0.106023D+03  0.219935D+00
      3  -0.182912D+01  0.219935D+00  0.889215D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.189632D+01 -0.872412D+01 -0.130228D+01
      2   0.126365D+02 -0.346247D+01  0.146501D+02
      3   0.252305D+01 -0.748512D+01  0.171711D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.191888D+02 -0.138475D+02  0.136317D+02
      2  -0.226747D+02  0.112235D+02  0.988067D+01
      3   0.348594D+01  0.262395D+01 -0.235123D+02
      4  -0.159842D+02 -0.116349D+02 -0.112745D+02
      5  -0.989647D+01 -0.102494D+02  0.291539D+02
      6  -0.837659D+01 -0.118643D+02 -0.637192D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.394634D+01  0.347412D+00  0.164366D+00 -0.316771D+00  0.290625D+01
      2   0.347412D+00  0.367816D+01  0.277804D+00  0.290625D+01 -0.132016D+01
      3   0.164366D+00  0.277804D+00  0.101635D+01  0.582138D+00 -0.142728D+01
                 6             7             8             9            10 
      1   0.582138D+00 -0.416857D+00  0.516711D+00  0.142947D+01  0.485895D+01
      2  -0.142728D+01  0.516711D+00 -0.299098D+01 -0.138208D+01 -0.805539D+00
      3  -0.278277D+00  0.142947D+01 -0.138208D+01  0.844558D+01 -0.224226D-01
                11            12            13            14            15 
      1  -0.805539D+00 -0.224226D-01 -0.944075D+00 -0.280510D+01 -0.185935D+00
      2  -0.298396D+01 -0.145718D+00 -0.280510D+01 -0.626156D+00  0.827088D+00
      3  -0.145718D+00 -0.302094D+01 -0.185935D+00  0.827088D+00  0.187451D+01
                16            17            18            19            20 
      1   0.110096D+01 -0.395586D+00 -0.175006D+01  0.325522D+01 -0.273497D+00
      2  -0.395586D+00  0.197748D+01  0.100290D+01 -0.273497D+00 -0.294674D+01
      3  -0.175006D+01  0.100290D+01 -0.803230D+01 -0.380720D-01  0.489370D+00
                21            22            23            24            25 
      1  -0.380720D-01 -0.686527D+00 -0.399701D+01  0.197324D+00  0.780032D+00
      2   0.489370D+00 -0.399701D+01  0.911597D+00  0.158458D+01  0.680555D+00
      3  -0.938190D+00  0.197324D+00  0.158458D+01  0.169632D+01 -0.160127D+01
                26            27            28            29            30 
      1   0.680555D+00 -0.160127D+01 -0.163024D+01  0.241786D+01 -0.451115D+00
      2   0.246310D+01  0.121035D+01  0.241786D+01  0.287852D+01 -0.205694D+00
      3   0.121035D+01 -0.771772D+01 -0.451115D+00 -0.205694D+00  0.355896D+00
                31            32            33            34            35 
      1   0.246746D+01  0.407648D+01  0.924800D+00 -0.230546D+01  0.497901D+00
      2   0.407648D+01 -0.128480D+01 -0.185254D+01  0.497901D+00 -0.262213D+01
      3   0.924800D+00 -0.185254D+01 -0.194382D+01  0.503537D+00 -0.780318D+00
                36            37            38            39            40 
      1   0.503537D+00  0.553205D+01 -0.193466D+01 -0.277391D+00 -0.336840D+01
      2  -0.780318D+00 -0.193466D+01 -0.251531D+00 -0.287825D+00 -0.111875D+01
      3   0.753860D+01 -0.277391D+00 -0.287825D+00 -0.539599D+00 -0.336809D+00
                41            42            43            44            45 
      1  -0.111875D+01 -0.336809D+00  0.233946D+01  0.520225D+00  0.127587D+00
      2  -0.344370D+01  0.729633D+00  0.520225D+00  0.150147D+01 -0.320107D+00
      3   0.729633D+00  0.102306D+01  0.127587D+00 -0.320107D+00 -0.126064D+01
                46            47            48            49            50 
      1  -0.539808D+01 -0.507761D+00  0.272323D+00  0.127633D+01  0.270213D+01
      2  -0.507761D+00  0.975978D+00  0.498442D+00  0.270213D+01 -0.128179D+01
      3   0.272323D+00  0.498442D+00  0.168077D+01 -0.263005D+00 -0.119711D+01
                51            52            53            54            55 
      1  -0.263005D+00 -0.943780D+00 -0.829933D-01  0.178446D+01  0.559627D+01
      2  -0.119711D+01 -0.829933D-01 -0.210759D+01 -0.935637D+00 -0.415801D+00
      3  -0.268430D+01  0.178446D+01 -0.935637D+00  0.808325D+01  0.327109D+00
                56            57            58            59            60 
      1  -0.415801D+00  0.327109D+00  0.783375D+00 -0.143009D+01 -0.397043D+00
      2   0.704931D+00  0.302166D+00 -0.143009D+01  0.669427D+01  0.183741D+01
      3   0.302166D+00  0.625136D+00 -0.397043D+00  0.183741D+01  0.152541D+00
                61            62            63            64            65 
      1   0.131204D+01 -0.901174D+00 -0.667478D+00 -0.109310D+00  0.722653D-01
      2  -0.901174D+00  0.307345D+01  0.186952D+01  0.722653D-01 -0.926708D+00
      3  -0.667478D+00  0.186952D+01  0.469335D+00 -0.112309D+01  0.118718D+00
                66            67            68            69            70 
      1  -0.112309D+01  0.229705D+00 -0.741230D+00  0.115053D+00 -0.197647D+01
      2   0.118718D+00 -0.741230D+00  0.758223D+00 -0.103967D+01  0.332560D+00
      3  -0.849737D+00  0.115053D+00 -0.103967D+01  0.720470D+00 -0.100091D+01
                71            72            73            74            75 
      1   0.332560D+00 -0.100091D+01 -0.657477D+01  0.256724D+01 -0.214414D+00
      2  -0.176023D+01  0.103472D+01  0.256724D+01  0.109900D+01 -0.571330D+00
      3   0.103472D+01 -0.731606D+01 -0.214414D+00 -0.571330D+00  0.104914D+01
                76            77            78            79            80 
      1   0.549941D+01  0.728014D+00 -0.682151D+00 -0.277506D+01 -0.663342D+00
      2   0.728014D+00  0.366320D+01 -0.924375D+00 -0.663342D+00 -0.139287D+01
      3  -0.682151D+00 -0.924375D+00  0.681774D+00 -0.666048D+00  0.383517D+00
                81            82            83            84            85 
      1  -0.666048D+00 -0.689894D-01  0.413743D-01  0.111976D+01 -0.176781D+00
      2   0.383517D+00  0.413743D-01  0.626771D+00 -0.162103D-01  0.582673D+00
      3   0.158528D+00  0.111976D+01 -0.162103D-01  0.853055D+00 -0.489842D-01
                86            87            88            89            90 
      1   0.582673D+00 -0.489842D-01  0.195282D+01  0.106935D+00  0.151018D+00
      2  -0.437663D+00  0.890982D+00  0.106935D+00  0.150167D+01 -0.658209D+00
      3   0.890982D+00 -0.995213D+00  0.151018D+00 -0.658209D+00  0.783320D+01
                91            92            93            94            95 
      1   0.475574D+00 -0.271352D+00  0.112981D+01 -0.495791D-01  0.100621D+01
      2  -0.271352D+00  0.102701D+01  0.122563D-01  0.100621D+01 -0.317947D+00
      3   0.112981D+01  0.122563D-01  0.729597D+00  0.586089D-01  0.837003D+00
                96            97            98            99           100 
      1   0.586089D-01  0.217067D+01 -0.257422D+00  0.119383D+01  0.388565D+01
      2   0.837003D+00 -0.257422D+00  0.171763D+01 -0.918569D-01  0.193243D+01
      3  -0.832342D-01  0.119383D+01 -0.918569D-01  0.690261D+01 -0.114170D+01
               101           102           103           104           105 
      1   0.193243D+01 -0.114170D+01  0.810305D+00  0.351516D+01 -0.119375D+00
      2   0.445712D+01 -0.143007D+00  0.351516D+01 -0.123586D+01 -0.180402D+01
      3  -0.143007D+00  0.647087D+00 -0.119375D+00 -0.180402D+01 -0.104806D+01
               106           107           108           109           110 
      1  -0.172510D+01 -0.730327D+00  0.140741D+01  0.281259D+01 -0.227043D+01
      2  -0.730327D+00 -0.376925D+01  0.681740D+00 -0.227043D+01 -0.234930D+01
      3   0.140741D+01  0.681740D+00 -0.382861D+00  0.158021D+01 -0.224534D+00
               111           112           113           114           115 
      1   0.158021D+01 -0.172771D+01 -0.450871D+01 -0.773383D+00  0.312597D+01
      2  -0.224534D+00 -0.450871D+01  0.113298D+01  0.400539D+01 -0.101047D+01
      3  -0.601062D+00 -0.773383D+00  0.400539D+01  0.226249D+01 -0.355721D+01
               116           117           118           119           120 
      1  -0.101047D+01 -0.355721D+01  0.393946D+00 -0.148319D+00 -0.143438D+01
      2   0.406338D+01  0.291768D+01 -0.148319D+00 -0.445424D+00  0.827478D-01
      3   0.291768D+01 -0.481006D+00 -0.143438D+01  0.827478D-01 -0.182546D+00
               121           122           123           124           125 
      1  -0.138826D+00 -0.424568D+00 -0.239542D+00 -0.198732D+01 -0.286786D+00
      2  -0.424568D+00  0.609214D+00 -0.106339D+01 -0.286786D+00 -0.132284D+01
      3  -0.239542D+00 -0.106339D+01  0.526540D+00  0.540743D+00  0.425541D+00
               126           127           128           129           130 
      1   0.540743D+00 -0.250150D+01 -0.197169D+01  0.921052D+00 -0.154722D+01
      2   0.425541D+00 -0.197169D+01 -0.353879D+01 -0.141472D+00 -0.252414D+01
      3  -0.866160D+01  0.921052D+00 -0.141472D+00 -0.341844D+00 -0.432214D-01
               131           132           133           134           135 
      1  -0.252414D+01 -0.432214D-01  0.209398D+01  0.739150D+00 -0.107081D+01
      2   0.323685D+01  0.266485D+01  0.739150D+00  0.569401D+01 -0.116136D-01
      3   0.266485D+01  0.125772D+01 -0.107081D+01 -0.116136D-01  0.979591D+00
               136           137           138           139           140 
      1  -0.433348D+00 -0.614048D-01 -0.141261D+01 -0.245572D-01 -0.632634D+00
      2  -0.614048D-01 -0.303940D+00 -0.305299D+00 -0.632634D+00  0.126259D+00
      3  -0.141261D+01 -0.305299D+00 -0.936277D+00  0.813750D-01 -0.914356D+00
               141           142           143           144           145 
      1   0.813750D-01 -0.246203D+01 -0.579115D+00 -0.158917D+01 -0.786627D+01
      2  -0.914356D+00 -0.579115D+00 -0.145060D+01 -0.429719D+00  0.311180D+01
      3   0.495566D+00 -0.158917D+01 -0.429719D+00 -0.803946D+01  0.740632D+00
               146           147           148           149           150 
      1   0.311180D+01  0.740632D+00  0.160852D+01 -0.139202D+01 -0.148036D+00
      2  -0.336205D+01 -0.641334D+00 -0.139202D+01  0.151593D+01  0.242541D-01
      3  -0.641334D+00 -0.126397D+01 -0.148036D+00  0.242541D-01  0.471086D+00
               151           152           153           154           155 
      1  -0.111213D+00 -0.126796D-02 -0.736545D+00 -0.554334D+01 -0.249375D+01
      2  -0.126796D-02 -0.179363D+00  0.595349D+00 -0.249375D+01 -0.224675D+01
      3  -0.736545D+00  0.595349D+00  0.508740D+00  0.764827D+00  0.467366D+00
               156           157           158           159           160 
      1   0.764827D+00 -0.482989D+01 -0.275921D+01  0.673430D+00  0.173590D+01
      2   0.467366D+00 -0.275921D+01 -0.333350D+01  0.703948D+00  0.897877D+00
      3  -0.109512D+01  0.673430D+00  0.703948D+00 -0.928025D+00 -0.126919D+01
               161           162           163           164           165 
      1   0.897877D+00 -0.126919D+01 -0.623620D+00  0.729019D+00  0.330396D+00
      2   0.106128D+01 -0.607167D+00  0.729019D+00 -0.193158D+01 -0.743475D-01
      3  -0.607167D+00  0.552567D+00  0.330396D+00 -0.743475D-01 -0.290709D+00
               166           167           168           169           170 
      1   0.162481D+01  0.110626D+00 -0.186138D+00  0.673568D+00  0.194419D-01
      2   0.110626D+00  0.857505D+01  0.749775D+00  0.194419D-01  0.208529D+01
      3  -0.186138D+00  0.749775D+00  0.138061D+01 -0.298251D-01  0.112428D+01
               171           172           173           174           175 
      1  -0.298251D-01  0.363773D+01  0.840885D+00  0.166232D+01  0.186563D+01
      2   0.112428D+01  0.840885D+00  0.193501D+01 -0.110060D+01  0.190753D+01
      3   0.216279D+00  0.166232D+01 -0.110060D+01  0.228880D+01 -0.542377D+00
               176           177           178           179           180 
      1   0.190753D+01 -0.542377D+00  0.131517D+01 -0.666245D+00  0.362895D+01
      2   0.176470D+01  0.418063D-01 -0.666245D+00 -0.773731D+00 -0.100401D+01
      3   0.418063D-01  0.135462D+01  0.362895D+01 -0.100401D+01  0.337865D+01
               181           182           183           184           185 
      1   0.444751D+01  0.234123D+01 -0.113791D+01  0.408522D+01  0.247552D+01
      2   0.234123D+01  0.196238D+01 -0.384646D+00  0.247552D+01  0.346099D+01
      3  -0.113791D+01 -0.384646D+00  0.105809D+01 -0.609687D+00 -0.139230D+01
               186           187           188           189           190 
      1  -0.609687D+00 -0.152946D+01 -0.410942D+00  0.144231D+01  0.216212D+01
      2  -0.139230D+01 -0.410942D+00 -0.106724D+01  0.747220D+00 -0.150347D+01
      3   0.106578D+01  0.144231D+01  0.747220D+00 -0.748284D+00 -0.162490D+01
               191           192           193           194           195 
      1  -0.150347D+01 -0.162490D+01 -0.301570D+01  0.333960D+01  0.152965D+01
      2   0.146723D+01  0.704532D+00  0.333960D+01 -0.531075D+01 -0.304458D+01
      3   0.704532D+00  0.107481D+01  0.152965D+01 -0.304458D+01 -0.325583D+01
               196           197           198           199           200 
      1  -0.242006D+01  0.147611D+01  0.206405D+01 -0.238005D+00 -0.806260D+00
      2   0.147611D+01 -0.261866D+01 -0.263917D+01 -0.806260D+00  0.205121D+01
      3   0.206405D+01 -0.263917D+01 -0.364478D+01 -0.342053D+00  0.391831D+00
               201           202           203           204           205 
      1  -0.342053D+00 -0.124783D+01 -0.300580D+00  0.139668D+00 -0.724075D+00
      2   0.391831D+00 -0.300580D+00 -0.106729D+02 -0.192329D+01 -0.122412D+00
      3   0.242570D+00  0.139668D+00 -0.192329D+01 -0.163877D+01 -0.395021D-01
               206           207           208           209           210 
      1  -0.122412D+00 -0.395021D-01 -0.212382D+01 -0.937590D+00  0.207251D+00
      2  -0.460892D+01 -0.205425D+01 -0.937590D+00 -0.157653D+01  0.896783D+00
      3  -0.205425D+01 -0.104961D+01  0.207251D+00  0.896783D+00 -0.156130D+01
               211           212           213           214           215 
      1  -0.217690D+01 -0.716153D+00  0.273634D+00  0.776324D+00  0.320620D+00
      2  -0.716153D+00 -0.318404D+01  0.168618D+01  0.320620D+00  0.152565D+01
      3   0.273634D+00  0.168618D+01 -0.210757D+01 -0.295354D+00 -0.107869D+01
               216 
      1  -0.295354D+00
      2  -0.107869D+01
      3   0.226738D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.728680D-01  0.371505D+00 -0.236659D+01 -0.906936D+00  0.671216D+00
      2  -0.267662D+00 -0.287159D+00 -0.701087D+00  0.750552D+00  0.185055D+01
      3  -0.264337D+01  0.207203D+00 -0.124907D+00  0.480097D+01  0.198763D+01
                 6             7             8             9            10 
      1   0.145972D+01 -0.132340D+01  0.429019D+01 -0.809347D+01 -0.546703D+00
      2   0.116642D+01 -0.418874D+01  0.410228D+00 -0.566801D+01 -0.201050D+01
      3  -0.298401D+00  0.914918D-01 -0.220525D+01  0.422577D+00 -0.255842D+01
                11            12            13            14            15 
      1  -0.166763D+01 -0.634579D+00  0.322530D+00  0.438228D+00 -0.163571D+01
      2  -0.981162D+00  0.305416D+01 -0.314591D+00 -0.150904D+01 -0.329455D+01
      3  -0.579395D+01  0.143283D-01  0.151373D+00 -0.282367D-03  0.164309D+01
                16            17            18            19            20 
      1  -0.114706D+01  0.469556D+01 -0.144775D+01  0.857135D-01 -0.409756D+00
      2  -0.912031D+00 -0.148491D+01  0.114503D+02 -0.347607D+00  0.932382D+00
      3  -0.596710D+00  0.273730D+01  0.221294D+01  0.337611D+01 -0.687175D+00
                21            22            23            24            25 
      1   0.286102D+01 -0.332742D+00 -0.214499D+01 -0.207410D+01  0.268740D+01
      2   0.934700D+00 -0.108587D+01  0.852243D+00 -0.434505D+00 -0.494843D+01
      3  -0.443612D+00  0.465586D+01 -0.546595D+01 -0.247373D+01 -0.533954D-01
                26            27            28            29            30 
      1   0.194649D+01  0.698493D+01 -0.241636D+01 -0.937901D+00  0.104884D+01
      2   0.644503D+00 -0.359410D+01 -0.673492D+01  0.378219D+01 -0.157404D+01
      3  -0.117544D+01 -0.299642D+01 -0.746684D+01 -0.920691D+01 -0.561598D+00
                31            32            33            34            35 
      1  -0.797796D+00  0.164110D+00  0.252244D+01  0.260988D+00  0.411995D+01
      2   0.245423D+01 -0.133634D+01 -0.424163D+01 -0.485353D+01  0.213279D+00
      3  -0.662691D+01  0.143559D+01  0.358321D+01  0.234501D+00  0.351990D+01
                36            37            38            39            40 
      1  -0.596785D+00  0.167632D+01  0.156598D+00 -0.200433D+01  0.143692D+01
      2   0.120110D+02  0.363292D+01 -0.863953D+00  0.103437D+02 -0.193257D+01
      3   0.194292D+01 -0.784016D+01 -0.399929D+01  0.966404D-01  0.157891D+02
                41            42            43            44            45 
      1   0.260258D+01 -0.607368D+01  0.208128D+01  0.253569D+01  0.415129D+00
      2  -0.117558D+01  0.200244D+01 -0.505850D+01 -0.136606D+01  0.565458D-01
      3   0.566166D+01 -0.278691D+00 -0.287956D+01 -0.140455D+01 -0.278433D+00
                46            47            48            49            50 
      1   0.582415D+00 -0.931285D+00  0.265599D+01 -0.891843D+00 -0.392714D+01
      2  -0.343609D+01 -0.128019D+01 -0.698742D+01  0.171586D-01  0.245971D+01
      3   0.642068D+01  0.420959D+01 -0.185380D+00  0.196238D+01 -0.197578D+01
                51            52            53            54            55 
      1  -0.727782D+00  0.179358D+00  0.891137D+00  0.901631D+01 -0.850958D+00
      2   0.232627D+01 -0.683833D+01 -0.614145D+00 -0.100360D+02 -0.609427D+01
      3  -0.200046D+01  0.904220D+00 -0.142594D+01 -0.354271D+01  0.180528D+02
                56            57            58            59            60 
      1   0.396738D+00 -0.518624D+00  0.191653D+01 -0.248362D+01 -0.642433D+01
      2   0.273830D+01  0.179615D+01  0.715668D+00 -0.271123D+01 -0.173433D+01
      3  -0.353705D+01 -0.427090D+00  0.552567D+01  0.675330D+01  0.815467D+00
                61            62            63            64            65 
      1   0.503588D+00  0.941979D+00 -0.261256D+01  0.115085D+01  0.289566D+00
      2  -0.342859D+01 -0.146137D+01 -0.120756D+01  0.102231D+01 -0.491408D+00
      3   0.315988D+01  0.289907D+01  0.101429D+01 -0.269991D-01 -0.187134D+01
                66            67            68            69            70 
      1   0.743801D+00 -0.123267D-01  0.140029D+01 -0.134221D+01  0.840317D+00
      2   0.202650D+01 -0.209096D-01  0.444611D+00 -0.211562D+00 -0.311284D+01
      3  -0.961545D+00  0.846218D+00 -0.317507D+00 -0.763916D+00 -0.262406D+01
                71            72            73            74            75 
      1   0.339249D+01  0.920344D+01  0.614738D+00 -0.196711D+00  0.633964D+00
      2  -0.424667D+00  0.649486D+01  0.480720D+01  0.249120D+01  0.438915D+01
      3  -0.163524D+01 -0.124541D+00  0.110431D+02 -0.218614D+01 -0.264102D+01
                76            77            78            79            80 
      1  -0.138096D+01  0.109631D+01 -0.171608D+01  0.988282D+00  0.263695D+01
      2   0.218648D+01  0.281180D+01 -0.346974D+01 -0.244805D+01 -0.163168D+01
      3   0.835934D+01  0.169708D+02 -0.285559D+01 -0.242085D+01 -0.570360D+01
                81            82            83            84            85 
      1  -0.221444D-01  0.262465D+00  0.893197D+00  0.278932D+00  0.595561D+00
      2   0.197531D+01 -0.295034D+01  0.868329D-01 -0.114139D+01  0.592622D+00
      3   0.124401D+01  0.451035D-01 -0.416342D-01 -0.250272D+00  0.180011D+01
                86            87            88            89            90 
      1  -0.256257D+00 -0.156562D+01  0.203943D+00  0.355709D+01  0.104549D+01
      2  -0.151401D+01  0.146383D+01 -0.473959D+01  0.796658D+00 -0.116959D+02
      3  -0.587527D+00  0.124075D+01 -0.457051D+00  0.208329D+01 -0.512999D+00
                91            92            93            94            95 
      1  -0.190972D+01  0.901147D+00 -0.108879D+01  0.465430D+00 -0.143463D+01
      2   0.847294D-01  0.698476D+00  0.543628D+00  0.114369D+01 -0.716054D-01
      3   0.122993D+01 -0.215356D+01  0.124679D+01  0.219381D+00  0.995796D+00
                96            97            98            99           100 
      1  -0.171829D+00 -0.203886D+01  0.406259D+01 -0.769331D+01  0.216211D+01
      2   0.243961D+00 -0.364682D+01  0.371258D+00  0.401009D+01 -0.266705D+00
      3  -0.522001D+00  0.262395D+01 -0.189903D+01  0.136530D+01  0.809733D+01
               101           102           103           104           105 
      1  -0.194688D+01 -0.376206D+01 -0.512858D+00  0.769334D+01 -0.130246D+01
      2  -0.451634D+00  0.457818D+01  0.888282D+00 -0.119431D+01  0.114226D+01
      3  -0.103088D+02 -0.225961D+01 -0.154225D+00  0.109245D+02  0.294333D+01
               106           107           108           109           110 
      1  -0.240266D+01  0.497326D+01  0.313196D+01  0.335805D+01  0.105941D+01
      2  -0.110752D+01  0.584979D+00 -0.120778D+01  0.985756D+01 -0.366804D+01
      3  -0.488119D+01  0.517919D+01  0.202587D+01  0.687802D+01  0.790145D+01
               111           112           113           114           115 
      1  -0.896719D+00  0.145249D+01  0.157848D+01 -0.325823D+01 -0.121553D+01
      2   0.127432D+01 -0.440265D+01  0.940520D+01  0.701739D+01 -0.892057D+01
      3  -0.238377D+00  0.188718D+02 -0.744684D+00 -0.104905D+02  0.880912D+00
               116           117           118           119           120 
      1  -0.248396D+01 -0.221805D+01  0.146773D-01  0.101548D+01  0.428672D+00
      2   0.739732D+01 -0.401258D+01 -0.246426D+01 -0.234335D+00  0.109251D+00
      3  -0.103485D+02 -0.641374D+01  0.241019D+00  0.532908D-01  0.272791D+00
               121           122           123           124           125 
      1   0.272912D+00 -0.141154D+01 -0.243643D+00  0.179902D+00  0.465711D+01
      2  -0.665633D-01 -0.212647D+01  0.831330D+00 -0.573796D+01  0.466647D+00
      3   0.246910D+01 -0.162702D+01  0.166685D+01  0.622821D+00  0.226878D+01
               126           127           128           129           130 
      1  -0.103729D+01  0.141093D+01 -0.268961D+00 -0.344951D+01  0.100685D+01
      2  -0.126475D+02 -0.256449D+01 -0.315285D+00  0.448137D+01  0.363078D+00
      3  -0.183921D+01  0.558879D+01 -0.741141D+01 -0.245326D+01  0.406314D+01
               131           132           133           134           135 
      1   0.129742D+02 -0.201462D+01 -0.155752D+01  0.619755D+01  0.530881D+01
      2  -0.435160D+01  0.518699D+00 -0.349648D+00  0.781772D-01 -0.240012D+01
      3   0.110675D+02  0.469745D+01 -0.590748D+01  0.875126D+01  0.312209D+01
               136           137           138           139           140 
      1  -0.184610D+01  0.141827D+00 -0.105565D+01  0.628587D+00 -0.157544D+01
      2   0.133260D+01  0.686487D+00  0.180974D+01  0.796991D+00  0.735338D+00
      3   0.965357D+00 -0.180387D+01  0.171095D+01  0.693523D-01  0.166681D+01
               141           142           143           144           145 
      1   0.554500D+00 -0.809177D+00  0.522826D+01 -0.895834D+01 -0.357601D+00
      2  -0.117480D+01 -0.327486D+01 -0.175378D+00  0.984780D+01  0.494745D+01
      3  -0.100891D+01  0.332456D+01 -0.168282D+01  0.272168D+01 -0.197126D+02
               146           147           148           149           150 
      1  -0.295268D+00  0.314006D+01 -0.967525D-01  0.259428D+00 -0.859761D+00
      2  -0.128379D+01  0.290493D+01 -0.835553D+00  0.766350D+00 -0.838680D+00
      3   0.257937D+00  0.985964D+00  0.219361D+01 -0.233969D+01 -0.647959D+00
               151           152           153           154           155 
      1   0.153365D+01 -0.454876D+00 -0.895971D+00  0.596694D-01  0.397332D-01
      2   0.539602D+00 -0.940127D+00 -0.424577D+00 -0.249176D+01 -0.168260D+01
      3  -0.815912D+00 -0.532480D+00 -0.675288D+00 -0.850701D+01 -0.879453D+01
               156           157           158           159           160 
      1  -0.850023D+00  0.532966D+00 -0.859715D+00 -0.107959D+01 -0.342658D+00
      2   0.392565D+01 -0.249692D+01 -0.258744D+01  0.393330D+01  0.274236D+01
      3   0.184651D+01 -0.832124D+01 -0.145440D+02  0.255285D+01  0.332918D+01
               161           162           163           164           165 
      1   0.816085D+00  0.407184D+00 -0.166085D+01  0.194794D+01  0.165043D+01
      2   0.188441D+01 -0.152304D+01  0.243280D+00  0.871507D-01 -0.596118D+00
      3   0.426743D+01 -0.169649D+01 -0.512446D+01  0.528445D+01  0.177025D+01
               166           167           168           169           170 
      1   0.102779D+01 -0.729422D+01 -0.536934D+01  0.415756D+00 -0.330577D+01
      2  -0.757214D-01  0.732890D+00  0.122179D+01 -0.112799D+01  0.118460D+01
      3   0.652622D+01 -0.147893D+02 -0.226618D+01  0.301925D+01 -0.408005D+01
               171           172           173           174           175 
      1  -0.152458D+01  0.270739D+01  0.302091D+01  0.174644D+01  0.139459D+01
      2   0.320821D+00 -0.592662D+00 -0.609271D+01  0.121934D+02 -0.454995D+01
      3  -0.184264D+01 -0.837013D+01 -0.101293D+02  0.274062D+01 -0.669311D+01
               176           177           178           179           180 
      1   0.381771D+01 -0.382234D+01  0.425132D+00  0.453131D+01  0.495118D+01
      2  -0.247827D+01  0.414434D+01  0.492003D+01 -0.458118D+00  0.120879D+02
      3  -0.594953D+01  0.404652D+00  0.158991D+01  0.140178D+01  0.697820D-01
               181           182           183           184           185 
      1  -0.206430D+01 -0.160540D+01 -0.471837D+00 -0.184875D+01 -0.320786D+01
      2  -0.781951D+00  0.303417D-01  0.385317D+01  0.110874D+01 -0.289757D+01
      3  -0.840257D+01 -0.851775D+01  0.180362D+01 -0.727775D+01 -0.143331D+02
               186           187           188           189           190 
      1  -0.852559D-01  0.331972D+00  0.231483D+01 -0.625463D+00  0.141927D+00
      2   0.404224D+01  0.197409D+01  0.199660D+01 -0.108180D+01 -0.320541D+01
      3   0.460695D+01  0.156727D+01  0.391530D+01 -0.276598D+01  0.247336D+01
               191           192           193           194           195 
      1  -0.110746D+01  0.870795D+00 -0.136939D+01  0.320792D+01 -0.260644D+01
      2   0.137615D+01  0.290975D+01  0.117110D+01 -0.649244D+01 -0.975356D+01
      3  -0.477710D+01 -0.116082D+01 -0.461225D+01  0.136894D+02  0.755948D+01
               196           197           198           199           200 
      1   0.440165D+00  0.156541D+01 -0.169379D+01 -0.336860D+00  0.207876D+01
      2   0.223177D+01 -0.662537D+01 -0.952724D+01  0.850213D+00 -0.130212D+00
      3  -0.158586D+01  0.693730D+01  0.627407D+01 -0.228791D+01  0.418727D+01
               201           202           203           204           205 
      1   0.166506D+01  0.342333D+00 -0.830866D+01 -0.636452D+01  0.154037D+00
      2  -0.150076D+00 -0.770247D+00  0.261039D+01  0.210236D+01 -0.103176D+01
      3   0.145983D+01  0.461931D+01 -0.170711D+02 -0.393742D+01  0.254097D+01
               206           207           208           209           210 
      1  -0.626506D+01 -0.337449D+01 -0.231067D+01 -0.294557D+01 -0.625286D+00
      2   0.267534D+01  0.123935D+01  0.651634D+01  0.496191D+01 -0.551716D+01
      3  -0.753947D+01 -0.351330D+01  0.791695D+01  0.610659D+01 -0.235168D+01
               211           212           213           214           215 
      1  -0.233108D+01 -0.310865D+01 -0.259594D+00  0.222986D+00  0.216768D+01
      2   0.436297D+01  0.777679D+01 -0.700329D+01 -0.326653D+01 -0.413156D+01
      3   0.734705D+01  0.920201D+01 -0.508513D+01 -0.166684D+01 -0.432821D+01
               216 
      1   0.440454D+00
      2   0.644706D+01
      3   0.378623D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.773985D+01 -0.503022D+01 -0.115504D+01 -0.469244D+01  0.630834D+01
      2  -0.364012D+01  0.813444D+01  0.345734D+00  0.686143D+01 -0.147908D+02
      3  -0.409974D+01 -0.310423D+01  0.809307D+00 -0.216899D+01  0.848246D+01
      4  -0.133116D+01 -0.624145D+01 -0.205546D+00 -0.987473D+01  0.743951D+01
      5   0.118216D+01 -0.194079D+01 -0.392093D+01 -0.369174D+01  0.140153D+01
      6   0.133274D+01  0.226978D+01  0.551738D+01  0.295596D+01 -0.762890D+01
                 6             7             8             9            10 
      1   0.377807D+01  0.114791D+01  0.423024D+01  0.514155D+01 -0.281909D+02
      2  -0.183471D+01  0.340275D+01 -0.106550D+02  0.294787D+01  0.153615D+02
      3  -0.194336D+01 -0.455066D+01  0.642474D+01 -0.808941D+01  0.128294D+02
      4   0.222723D+01 -0.180191D+01  0.711112D+01  0.566956D+01  0.424836D+01
      5   0.303869D+01 -0.260496D+01  0.364887D+01 -0.176588D+02 -0.442289D+00
      6  -0.808198D+01  0.501750D+01 -0.456268D+01  0.217795D+02 -0.458208D+00
                11            12            13            14            15 
      1  -0.220376D+01  0.199883D+01  0.292451D+01  0.778712D+01  0.109413D+00
      2   0.505513D+01  0.134572D+01 -0.142389D+01 -0.179955D+01 -0.330803D+00
      3  -0.285137D+01 -0.334454D+01 -0.150062D+01 -0.598757D+01  0.221390D+00
      4   0.138502D+01  0.166833D+00  0.818432D+01  0.130740D+01 -0.215638D+01
      5  -0.242604D+00  0.122718D+01  0.834710D+00 -0.123742D+01 -0.581348D+01
      6   0.869751D+00  0.248457D+01 -0.108424D+01 -0.115400D+00 -0.491682D+00
                16            17            18            19            20 
      1  -0.479004D+01  0.257407D+01  0.136491D+02 -0.386536D+01  0.469540D+01
      2   0.293347D+01 -0.653481D+01  0.172463D+01  0.117004D+01 -0.973173D+01
      3   0.185657D+01  0.396074D+01 -0.153738D+02  0.269532D+01  0.503633D+01
      4   0.227574D+01 -0.332184D+01 -0.283418D+01 -0.215911D+01 -0.807408D+01
      5   0.749427D+01 -0.307637D+01  0.244349D+02  0.136473D+01  0.331651D+01
      6   0.805298D+00  0.763102D+00  0.594262D+01 -0.949467D-01  0.393069D+01
                21            22            23            24            25 
      1  -0.211416D+01  0.311072D+01 -0.289359D+01 -0.297343D+01  0.147713D+01
      2   0.140978D+00 -0.779432D+01 -0.306850D+00  0.338997D+01  0.375013D+01
      3   0.197318D+01  0.468360D+01  0.320044D+01 -0.416544D+00 -0.522725D+01
      4   0.142067D+01 -0.118285D+02 -0.660553D+01  0.158308D+01  0.363966D+01
      5  -0.443407D+01  0.146209D+01  0.361509D+01 -0.170625D+00 -0.151385D+01
      6  -0.587780D+01  0.286405D+01  0.486642D+01 -0.221156D+01 -0.411968D+01
                26            27            28            29            30 
      1  -0.107835D+01 -0.252878D+01 -0.158378D+02  0.781463D+01 -0.342718D+00
      2   0.501894D+01  0.568643D+01  0.757437D+01 -0.915478D+01  0.141593D+01
      3  -0.394059D+01 -0.315765D+01  0.826342D+01  0.134015D+01 -0.107321D+01
      4   0.658080D+01 -0.111406D+01 -0.104583D+01 -0.238689D+01 -0.789722D+00
      5   0.797422D+00 -0.106483D+02 -0.173124D+01 -0.146298D+01 -0.273404D+01
      6   0.181202D+01 -0.171856D+02 -0.418534D+00 -0.264456D+01 -0.550184D+00
                31            32            33            34            35 
      1   0.451200D+01  0.115924D+02 -0.376365D+01 -0.599896D+01 -0.168003D+00
      2  -0.341829D+01 -0.118387D+02 -0.388494D+01  0.307220D+01 -0.816598D+00
      3  -0.109371D+01  0.246255D+00  0.764859D+01  0.292676D+01  0.984601D+00
      4  -0.313016D+01 -0.886476D+01 -0.546622D+01  0.453630D+01 -0.236009D+01
      5   0.191200D+01 -0.802758D+01 -0.866400D+01  0.489224D+00 -0.277730D+01
      6  -0.477202D+01  0.384087D+01 -0.108361D+01 -0.177101D+01  0.156515D+01
                36            37            38            39            40 
      1   0.178705D+02  0.130432D+02 -0.268372D+01  0.136282D+01 -0.122504D+01
      2   0.132015D+02 -0.757342D+01  0.297347D+01 -0.168060D+01  0.226301D+01
      3  -0.310720D+02 -0.546977D+01 -0.289753D+00  0.317779D+00 -0.103796D+01
      4  -0.343362D+01 -0.804500D+01  0.144406D+02  0.513576D-01  0.135882D+02
      5   0.201236D+02  0.219288D+01  0.669107D+00  0.167475D+02 -0.183868D+01
      6   0.436088D-01  0.139637D+01  0.849070D+00  0.513973D+01  0.142573D+01
                41            42            43            44            45 
      1  -0.122518D+02  0.347006D+01  0.337938D+01  0.221644D+01 -0.466682D+01
      2   0.177724D+02  0.190698D+01 -0.435243D+01 -0.290244D+01 -0.340953D+01
      3  -0.552062D+01 -0.537704D+01  0.973047D+00  0.686000D+00  0.807634D+01
      4   0.156112D+00  0.950146D+00 -0.550989D+01 -0.825038D+00 -0.168381D+01
      5   0.196275D+01  0.295817D+01  0.517135D+01 -0.137243D+01  0.143658D+01
      6  -0.673446D+00  0.550990D+01 -0.128349D+01  0.462196D+01  0.745591D+00
                46            47            48            49            50 
      1  -0.117071D+02  0.605793D+01  0.191150D+01 -0.279504D+01 -0.449480D+01
      2   0.955105D+01 -0.777643D+01  0.171178D+01 -0.507727D+01 -0.154056D+01
      3   0.215608D+01  0.171850D+01 -0.362328D+01  0.787231D+01  0.603536D+01
      4   0.610682D+01 -0.145860D+02 -0.172909D+01 -0.157945D+02 -0.923118D+01
      5   0.116599D+01 -0.242184D+00 -0.165405D+02  0.225421D+01  0.177625D+01
      6  -0.555287D+00  0.166508D+01 -0.916534D+01  0.373649D+00  0.603736D+01
                51            52            53            54            55 
      1  -0.465605D+01  0.413766D+01 -0.431312D+01  0.457993D+01 -0.151313D+02
      2  -0.102190D+01  0.378719D+01  0.781747D+01  0.159953D+02  0.583506D+01
      3   0.567795D+01 -0.792485D+01 -0.350436D+01 -0.205752D+02  0.929627D+01
      4   0.255941D+01  0.249088D+01  0.606407D+01 -0.395117D+00  0.237125D+02
      5   0.346070D+01 -0.630122D+01  0.749082D+00 -0.214727D+02  0.159922D+01
      6  -0.155809D+01 -0.391398D+01  0.217118D+01 -0.211889D+02  0.198583D+01
                56            57            58            59            60 
      1   0.319153D+01 -0.577270D+00  0.356598D+01 -0.254490D+02 -0.792894D+01
      2  -0.968574D+00  0.152257D+01 -0.613889D+01  0.418681D+02  0.574590D+01
      3  -0.222295D+01 -0.945301D+00  0.257291D+01 -0.164191D+02  0.218304D+01
      4   0.384407D+00  0.509171D+00  0.100808D+02 -0.198329D+02 -0.503414D+01
      5  -0.560909D+00  0.356359D+01  0.221690D+01 -0.367505D+01 -0.217577D+01
      6  -0.571240D-02  0.472536D+00 -0.282055D+01  0.132915D+02  0.123617D+02
                61            62            63            64            65 
      1  -0.493015D+00 -0.100570D+02 -0.851707D+01  0.102994D+01  0.533000D+00
      2  -0.164745D+01  0.134008D+02  0.375642D+01 -0.312644D+01 -0.138218D+01
      3   0.214046D+01 -0.334385D+01  0.476065D+01  0.209650D+01  0.849183D+00
      4   0.652270D+01 -0.939958D+01 -0.541890D+01 -0.155434D+01  0.383053D+01
      5   0.510416D+01 -0.525691D+01 -0.306533D+01  0.424993D+01 -0.126411D+01
      6  -0.371523D+01  0.151597D+02  0.750181D+01 -0.349998D+01  0.295982D+00
                66            67            68            69            70 
      1   0.216750D+01  0.100624D+01 -0.380740D+01  0.292494D+01  0.136351D+01
      2  -0.251967D+01 -0.169523D+01  0.299579D+01 -0.295384D+01 -0.275649D+01
      3   0.352173D+00  0.688988D+00  0.811608D+00  0.289003D-01  0.139298D+01
      4  -0.313174D+01  0.316958D+01 -0.271328D+01  0.264157D+01 -0.468197D+01
      5   0.861345D+01 -0.794518D-01  0.255772D+01 -0.138645D+01  0.619505D+01
      6  -0.217073D+01  0.115883D+01 -0.417586D+01  0.800395D+01 -0.364064D+01
                71            72            73            74            75 
      1   0.441019D+01 -0.120339D+02  0.461257D+02 -0.157015D+02  0.311076D+01
      2  -0.357552D+01 -0.113275D+02 -0.280065D+02  0.751325D+01 -0.189897D+01
      3  -0.834672D+00  0.233614D+02 -0.181192D+02  0.818830D+01 -0.121179D+01
      4   0.397039D+01 -0.396615D+01 -0.192645D+02  0.137628D+01  0.315444D+01
      5  -0.270987D+01  0.182687D+02  0.551156D+01  0.428162D+01  0.813179D+01
      6   0.681802D+01 -0.233722D+02  0.524548D+00  0.144929D+00 -0.193087D+01
                76            77            78            79            80 
      1  -0.323088D+02 -0.895112D+01  0.390848D+01  0.170332D+02  0.381651D+01
      2   0.177928D+02  0.763723D+01 -0.179230D+01 -0.925621D+01 -0.171074D+01
      3   0.145160D+02  0.131389D+01 -0.211618D+01 -0.777702D+01 -0.210578D+01
      4  -0.401892D+01 -0.212514D+02  0.584928D+01  0.333020D+01  0.749952D+01
      5   0.475834D+01  0.704924D+01 -0.541349D+01  0.906182D+01 -0.327232D+01
      6   0.188731D+01  0.181238D+01  0.355299D+01 -0.106624D+01  0.187658D+01
                81            82            83            84            85 
      1   0.232544D+01  0.304484D+00  0.194284D+00 -0.567799D+01  0.776835D+00
      2  -0.465764D+01 -0.323066D+01  0.758011D-01  0.712830D+00 -0.412374D+00
      3   0.233220D+01  0.292618D+01 -0.270085D+00  0.496517D+01 -0.364461D+00
      4  -0.306601D+01 -0.260188D+00  0.123149D+00 -0.287185D+00  0.228013D+00
      5   0.211515D+01 -0.223312D+01 -0.319901D+00  0.319053D+01 -0.559042D-01
      6   0.268292D+00 -0.777393D+00  0.437235D+00 -0.724520D+00  0.277625D-01
                86            87            88            89            90 
      1  -0.470508D+01  0.174723D+01 -0.737582D+01  0.165374D+01 -0.176561D+02
      2   0.475503D+00 -0.242270D+00  0.329039D+01  0.601352D+00 -0.138448D+02
      3   0.422957D+01 -0.150496D+01  0.408542D+01 -0.225509D+01  0.315009D+02
      4   0.129420D+01 -0.222658D+01 -0.918455D+00 -0.388891D+01  0.171670D+01
      5  -0.247112D+01  0.244780D+01  0.341753D+01  0.216713D+01 -0.218369D+02
      6  -0.168524D+01  0.785952D+01 -0.192974D+00  0.385660D+01 -0.523130D+01
                91            92            93            94            95 
      1   0.232374D+01 -0.200810D+01  0.205958D+01 -0.189845D+01 -0.618991D+00
      2  -0.363490D+01  0.279440D+01 -0.133776D+01  0.238101D+01 -0.114109D+01
      3   0.131117D+01 -0.786302D+00 -0.721819D+00 -0.482557D+00  0.176008D+01
      4   0.410625D+00  0.309437D+01  0.127894D+01  0.352494D+01  0.621717D+00
      5   0.350111D+01 -0.579386D+00  0.576700D+01 -0.166162D+00  0.216087D+01
      6   0.205580D+01 -0.321820D-01  0.189172D+01  0.642769D+00  0.135541D+01
                96            97            98            99           100 
      1  -0.115133D+01  0.180292D+01 -0.312927D+01 -0.856013D+01  0.120865D+02
      2   0.185121D+01 -0.381906D+01  0.475088D+01 -0.128105D+02 -0.226045D+01
      3  -0.699884D+00  0.201614D+01 -0.162161D+01  0.213706D+02 -0.982607D+01
      4   0.247163D+01  0.251416D+01  0.321086D+01  0.936466D+00  0.196328D+02
      5   0.344705D+00  0.561559D+01 -0.377690D+00  0.133871D+02 -0.453921D+01
      6   0.445600D+01  0.244649D+01  0.273896D+01  0.152637D+02 -0.593707D+01
               101           102           103           104           105 
      1  -0.899541D+01 -0.325850D+00 -0.330773D+01  0.993967D+01  0.593803D+01
      2   0.207185D+02  0.252905D+01  0.116875D+02 -0.106526D+02 -0.873675D+01
      3  -0.117231D+02 -0.220320D+01 -0.837974D+01  0.712939D+00  0.279872D+01
      4   0.223858D+02 -0.406766D+01  0.191158D+02  0.119177D+02 -0.432983D+01
      5  -0.146849D+01  0.861679D+01 -0.111105D+01 -0.734784D+01  0.128261D+01
      6  -0.356310D+01  0.647655D+01 -0.267819D+01 -0.108473D+02  0.660603D+01
               106           107           108           109           110 
      1  -0.200622D+01  0.109442D+02 -0.965399D+00  0.115533D+02 -0.146669D+02
      2   0.312251D+00 -0.173127D+02 -0.193765D+01 -0.810681D+01  0.110314D+02
      3   0.169396D+01  0.636851D+01  0.290305D+01 -0.344653D+01  0.363552D+01
      4  -0.780431D+01 -0.110226D+02  0.612578D+01 -0.125929D+02 -0.142142D+02
      5   0.772749D+01  0.356558D+01 -0.348314D+01  0.744921D+01 -0.374450D-01
      6   0.784090D+01  0.884856D+01 -0.701068D+01 -0.175759D+01  0.563414D+01
               111           112           113           114           115 
      1   0.774539D+01 -0.151562D+02 -0.202229D+02  0.297782D+01  0.102277D+02
      2  -0.116189D+01  0.109185D+02  0.737249D+01 -0.652866D+01 -0.386785D+01
      3  -0.658351D+01  0.423777D+01  0.128504D+02  0.355084D+01 -0.635983D+01
      4  -0.207151D+01 -0.256756D+02  0.838544D+01  0.237363D+02 -0.303146D+01
      5  -0.819643D+01 -0.161450D+01  0.269820D+02  0.166347D+02 -0.298086D+02
      6   0.325898D+01  0.101343D+02 -0.102109D+02 -0.106876D+02  0.997992D+01
               116           117           118           119           120 
      1   0.312813D+01 -0.130424D+02  0.131692D+01 -0.942809D-01 -0.451740D+01
      2  -0.280247D+01  0.492413D+01 -0.467989D+01  0.101234D+00  0.125037D+01
      3  -0.325665D+00  0.811824D+01  0.336298D+01 -0.695288D-02  0.326703D+01
      4   0.189105D+02  0.192915D+02 -0.173481D+00  0.151405D+01  0.111860D+01
      5   0.188545D+02 -0.261168D+01 -0.388446D+01  0.161186D+00  0.696163D+01
      6  -0.176282D+02 -0.528096D+01  0.535671D+00  0.581915D+00 -0.461605D+00
               121           122           123           124           125 
      1  -0.272771D-01 -0.532168D+01  0.591899D+00 -0.403485D+01  0.117265D+01
      2  -0.409277D+00  0.815202D+00  0.170232D+01  0.519380D+01  0.837002D+00
      3   0.436554D+00  0.450648D+01 -0.229422D+01 -0.115896D+01 -0.200966D+01
      4   0.150874D+01  0.155768D+01 -0.201063D+01  0.112912D+01 -0.247736D+01
      5  -0.531940D+00 -0.265316D+01  0.210069D+01  0.714890D+01  0.139913D+01
      6   0.182333D+00 -0.296376D+00  0.808841D+01  0.741170D+00  0.492611D+01
               126           127           128           129           130 
      1  -0.224552D+02  0.102336D+02 -0.765435D+01 -0.251900D+01 -0.521618D+00
      2  -0.196857D+02  0.123339D+01  0.195943D+02  0.385326D+01  0.997833D+01
      3   0.421409D+02 -0.114670D+02 -0.119399D+02 -0.133426D+01 -0.945671D+01
      4   0.168808D+01  0.166210D+02  0.228943D+02 -0.342513D+01  0.196064D+02
      5  -0.216964D+02 -0.287595D+01  0.508223D+00  0.730912D+01 -0.397952D+00
      6   0.250718D+01 -0.382486D+01  0.101790D+01  0.595741D+01  0.284781D+00
               131           132           133           134           135 
      1   0.158118D+02  0.108980D+02 -0.450941D+01  0.177814D+02  0.102301D+01
      2  -0.177525D+02 -0.149316D+02  0.330898D+00 -0.306580D+02 -0.591365D+01
      3   0.194072D+01  0.403360D+01  0.417851D+01  0.128766D+02  0.489064D+01
      4   0.972164D+01 -0.566535D+01 -0.972365D+01 -0.168167D+02  0.359493D+01
      5  -0.732961D+01  0.469968D+00  0.664178D+01  0.307717D+00 -0.421217D+01
      6  -0.209029D+02  0.354999D+01  0.584059D+01  0.302510D+01 -0.959544D+01
               136           137           138           139           140 
      1   0.171945D+01 -0.225033D+00  0.235854D+01 -0.123710D+01 -0.211933D+01
      2  -0.502651D+01  0.232063D+00 -0.284499D+01  0.209577D+01 -0.781865D+00
      3   0.330706D+01 -0.702999D-02  0.486450D+00 -0.858671D+00  0.290120D+01
      4   0.140761D+01  0.337828D+01  0.342566D+01  0.348864D+01  0.378401D+00
      5   0.580556D+01  0.103098D+01  0.105641D+02 -0.589625D+00  0.282855D+01
      6   0.353979D+01  0.869025D+00  0.272255D+01  0.104165D+01  0.209412D+01
               141           142           143           144           145 
      1  -0.101938D+01  0.263112D+00 -0.258487D+01 -0.151330D+02  0.238024D+02
      2   0.386651D+01 -0.450166D+01  0.312627D+01 -0.195011D+02 -0.377025D+01
      3  -0.284713D+01  0.423855D+01 -0.541404D+00  0.346340D+02 -0.200321D+02
      4   0.221291D+01  0.560518D+01  0.516912D+01  0.237296D+01 -0.387574D+02
      5  -0.256110D+01  0.101222D+02  0.187762D+01  0.227472D+02 -0.663401D+01
      6   0.522127D+01  0.454551D+01  0.562123D+01  0.214812D+02  0.245126D+01
               146           147           148           149           150 
      1  -0.343786D+01 -0.384629D+00 -0.190083D+01  0.101180D+01  0.390285D+00
      2  -0.773306D+01  0.661633D-01 -0.380336D+01  0.502376D+01 -0.111189D+00
      3   0.111709D+02  0.318466D+00  0.570420D+01 -0.603556D+01 -0.279096D+00
      4   0.219019D+02  0.397541D+01  0.119241D+02 -0.851373D+01 -0.811967D+00
      5   0.323857D+01  0.487180D+01  0.123266D+01 -0.601858D+00 -0.169142D+01
      6  -0.308659D+01 -0.540792D+01 -0.131951D+01  0.471813D+00  0.167969D+01
               151           152           153           154           155 
      1   0.930402D+00  0.215387D+00  0.446601D+00  0.344770D+02  0.156121D+02
      2   0.809161D-01 -0.865078D+00 -0.756476D+00 -0.177393D+02 -0.784917D+01
      3  -0.101132D+01  0.649691D+00  0.309875D+00 -0.167376D+02 -0.776296D+01
      4  -0.686959D+00  0.459170D+00 -0.398836D+01  0.163048D+02  0.146069D+02
      5   0.516643D+01 -0.247208D+01 -0.136404D+01 -0.620737D+01 -0.351960D+01
      6  -0.360537D+01  0.380986D+01  0.202907D+01 -0.118220D+01 -0.759633D+00
               156           157           158           159           160 
      1  -0.532217D+01  0.285175D+02  0.147092D+02 -0.422384D+01 -0.924582D+01
      2   0.245955D+01 -0.145916D+02 -0.535392D+01  0.202632D+01  0.561448D+01
      3   0.286263D+01 -0.139259D+02 -0.935527D+01  0.219752D+01  0.363133D+01
      4  -0.299118D+01  0.199535D+02  0.203151D+02 -0.507273D+01 -0.514804D+01
      5   0.694543D+01 -0.564716D+01 -0.557789D+01  0.630286D+01  0.960385D+01
      6   0.935283D+00 -0.189657D+01 -0.154220D+01  0.153549D+01  0.188428D+01
               161           162           163           164           165 
      1  -0.483427D+01  0.554479D+01 -0.218941D+01  0.844147D+01  0.206813D+00
      2   0.280405D+01 -0.440849D+01  0.376423D+01 -0.122442D+02 -0.154998D+01
      3   0.203022D+01 -0.113629D+01 -0.157482D+01  0.380269D+01  0.134316D+01
      4  -0.609348D+01  0.399090D+01 -0.138817D+01  0.810828D+00  0.119557D+01
      5   0.458652D+01 -0.363290D+01  0.622615D+00 -0.102598D+01 -0.100759D+01
      6   0.270409D+01 -0.130488D+01  0.140610D+01  0.374056D+00 -0.158273D+01
               166           167           168           169           170 
      1   0.339402D+01 -0.288711D+02 -0.217048D+01  0.942827D+00 -0.701815D+01
      2  -0.230622D+01  0.505347D+02  0.584393D+01 -0.665739D+00  0.119345D+02
      3  -0.108780D+01 -0.216636D+02 -0.367345D+01 -0.277088D+00 -0.491631D+01
      4   0.630038D+01  0.141155D+02  0.115734D+01  0.202233D+01  0.418288D+01
      5  -0.111184D+01  0.333615D+01  0.275723D+01  0.966531D+00  0.251073D+01
      6  -0.663367D+00  0.991466D+00  0.653776D+01 -0.401137D+00  0.732788D+01
               171           172           173           174           175 
      1  -0.488667D+01  0.296816D+02  0.934742D+01  0.322128D+01  0.125338D+02
      2   0.516696D+01 -0.182568D+02 -0.757930D+01 -0.585720D+01 -0.981281D+01
      3  -0.280284D+00 -0.114248D+02 -0.176812D+01  0.263592D+01 -0.272097D+01
      4   0.145334D+01 -0.368586D+01  0.134691D+02 -0.657053D+01  0.125406D+02
      5   0.698387D+00  0.163249D+02 -0.391614D+01  0.191924D+02 -0.211326D+01
      6   0.168908D+01 -0.503383D+00  0.809908D+01 -0.693836D+01  0.590465D+01
               176           177           178           179           180 
      1   0.140783D+02 -0.501736D+01  0.634397D+01 -0.781456D+01  0.884968D+01
      2  -0.648046D+01  0.229059D+01 -0.723665D+01  0.275727D+01 -0.180642D+02
      3  -0.759786D+01  0.272677D+01  0.892674D+00  0.505729D+01  0.921455D+01
      4   0.280530D+01  0.275926D+01 -0.706503D+01  0.286250D+00 -0.967679D+01
      5   0.418544D+01  0.390417D+01  0.302704D+02 -0.901042D+01  0.260715D+02
      6   0.379627D+01  0.823515D+00 -0.970880D+01  0.101456D+02 -0.189573D+01
               181           182           183           184           185 
      1   0.330445D+02  0.163059D+02 -0.715031D+01  0.264306D+02  0.141312D+02
      2  -0.178331D+02 -0.876744D+01  0.411597D+01 -0.148794D+02 -0.549987D+01
      3  -0.152115D+02 -0.753842D+01  0.303433D+01 -0.115512D+02 -0.863131D+01
      4   0.147691D+02  0.136091D+02 -0.273720D+01  0.168280D+02  0.204485D+02
      5  -0.107924D+02 -0.472417D+01  0.933564D+01 -0.756157D+01 -0.105719D+02
      6  -0.128703D+01 -0.261619D+01  0.110121D+00 -0.315461D+01 -0.223178D+01
               186           187           188           189           190 
      1  -0.465480D+01 -0.799561D+01 -0.233895D+01  0.636952D+01  0.133142D+02
      2   0.371014D+01  0.575898D+01  0.254399D+01 -0.560254D+01 -0.474931D+01
      3   0.944660D+00  0.223663D+01 -0.205037D+00 -0.766977D+00 -0.856491D+01
      4  -0.863362D+01 -0.277204D+01 -0.630958D+01  0.454704D+01 -0.134602D+02
      5   0.806669D+01  0.126599D+02  0.615616D+01 -0.599172D+01 -0.130609D+02
      6   0.274202D+01  0.939178D+00  0.405876D+01 -0.211513D+01  0.598463D+01
               191           192           193           194           195 
      1  -0.788345D+01 -0.860097D+01 -0.117908D+02  0.441060D+01  0.379595D+00
      2   0.194044D+01  0.416744D+01  0.165093D+01  0.854050D+01  0.336487D+01
      3   0.594300D+01  0.443353D+01  0.101399D+02 -0.129511D+02 -0.374447D+01
      4   0.142048D+02  0.761109D+01  0.250815D+02 -0.332949D+02 -0.192784D+02
      5   0.708297D+01  0.108463D+02  0.131536D+02 -0.205101D+02 -0.217484D+02
      6  -0.432913D+01 -0.418948D+01 -0.892343D+01  0.165740D+02  0.150950D+02
               196           197           198           199           200 
      1  -0.934285D+01  0.251303D+00  0.176019D+01 -0.123047D+01  0.105661D+02
      2   0.548040D+01  0.110107D+01 -0.301080D+01  0.348018D+01 -0.145521D+02
      3   0.386245D+01 -0.135237D+01  0.125061D+01 -0.224971D+01  0.398598D+01
      4   0.113998D+02 -0.157892D+02 -0.165579D+02  0.153187D+01  0.352570D+01
      5   0.173788D+02 -0.175226D+02 -0.236890D+02  0.107135D+01 -0.139376D+00
      6  -0.771151D+01  0.133446D+02  0.145618D+02  0.214482D+01 -0.372900D+01
               201           202           203           204           205 
      1   0.245763D+01  0.295470D+01 -0.358228D+02 -0.776440D+01  0.170057D+01
      2  -0.336404D+01 -0.560454D+00  0.628448D+02  0.128007D+02 -0.881918D+00
      3   0.906405D+00 -0.239425D+01 -0.270219D+02 -0.503634D+01 -0.818651D+00
      4   0.144402D+01  0.723857D+01  0.227174D+02  0.365729D+01  0.333634D+01
      5   0.277155D+00  0.565276D-01  0.653119D+01  0.423644D+01  0.150756D+01
      6  -0.250767D+01 -0.285347D+00  0.164064D+02  0.103358D+02  0.583105D-01
               206           207           208           209           210 
      1  -0.158104D+02 -0.841372D+01 -0.127524D+02 -0.105478D+02  0.764803D+01
      2   0.246420D+02  0.106357D+02  0.821876D+01  0.676087D+01 -0.220284D+01
      3  -0.883154D+01 -0.222199D+01  0.453367D+01  0.378691D+01 -0.544519D+01
      4   0.942133D+01  0.382853D+01  0.193147D+00 -0.540913D+01  0.287468D+01
      5   0.583765D+01  0.267515D+01 -0.146944D+01  0.137482D+01 -0.640636D+01
      6   0.158486D+02  0.764099D+01 -0.306106D+01 -0.627254D+01  0.654038D+01
               211           212           213           214           215 
      1  -0.136791D+02 -0.149330D+02  0.806322D+01  0.626169D+01  0.660605D+01
      2   0.832153D+01  0.134227D+02 -0.583728D+01 -0.280299D+01 -0.364889D+01
      3   0.535757D+01  0.151028D+01 -0.222594D+01 -0.345870D+01 -0.295717D+01
      4   0.112915D+01 -0.116534D+02  0.705133D+01  0.341272D+00  0.543833D+01
      5  -0.137015D+01  0.561674D+01 -0.838062D+01  0.165460D+01 -0.338962D+01
      6  -0.311502D+01 -0.110078D+02  0.907711D+01  0.225145D+01  0.717058D+01
               216 
      1  -0.798230D+01
      2   0.161064D+01
      3   0.637166D+01
      4  -0.308089D+01
      5   0.757584D+01
      6  -0.705369D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 12:04:49 2021, MaxMem=  6442450944 cpu:           22752.3 elap:            2892.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.18640 -19.17871 -19.17359 -19.16573 -19.15861
 Alpha  occ. eigenvalues --  -19.15046 -10.30491 -10.25104 -10.25075 -10.24782
 Alpha  occ. eigenvalues --  -10.24289 -10.23378  -1.10505  -1.06151  -1.05303
 Alpha  occ. eigenvalues --   -1.03980  -1.02953  -1.02473  -0.80327  -0.78819
 Alpha  occ. eigenvalues --   -0.70555  -0.66237  -0.63521  -0.60236  -0.58252
 Alpha  occ. eigenvalues --   -0.54916  -0.53780  -0.52887  -0.50357  -0.50271
 Alpha  occ. eigenvalues --   -0.48250  -0.47339  -0.44902  -0.43528  -0.42373
 Alpha  occ. eigenvalues --   -0.41732  -0.39669  -0.39202  -0.37461  -0.36138
 Alpha  occ. eigenvalues --   -0.34935  -0.34108  -0.33139  -0.31535  -0.30023
 Alpha  occ. eigenvalues --   -0.28975  -0.28379  -0.27899
 Alpha virt. eigenvalues --   -0.02340  -0.01149  -0.00497   0.00076   0.01293
 Alpha virt. eigenvalues --    0.01809   0.02222   0.02916   0.03491   0.04435
 Alpha virt. eigenvalues --    0.05291   0.05798   0.06367   0.06714   0.07408
 Alpha virt. eigenvalues --    0.07896   0.08217   0.08614   0.08762   0.09496
 Alpha virt. eigenvalues --    0.09584   0.10277   0.10614   0.10740   0.11376
 Alpha virt. eigenvalues --    0.11906   0.12103   0.12455   0.12855   0.13125
 Alpha virt. eigenvalues --    0.13579   0.14261   0.14407   0.14717   0.14932
 Alpha virt. eigenvalues --    0.15479   0.16136   0.16335   0.17279   0.18034
 Alpha virt. eigenvalues --    0.18193   0.18918   0.19721   0.20170   0.20659
 Alpha virt. eigenvalues --    0.21253   0.21894   0.22046   0.22441   0.23107
 Alpha virt. eigenvalues --    0.23493   0.23712   0.24033   0.24089   0.24440
 Alpha virt. eigenvalues --    0.25072   0.25559   0.25940   0.26122   0.26421
 Alpha virt. eigenvalues --    0.27476   0.27655   0.28022   0.28692   0.29310
 Alpha virt. eigenvalues --    0.29579   0.29833   0.30548   0.30790   0.31484
 Alpha virt. eigenvalues --    0.31999   0.32530   0.33047   0.33415   0.33900
 Alpha virt. eigenvalues --    0.34776   0.35229   0.36131   0.36200   0.36923
 Alpha virt. eigenvalues --    0.37092   0.37334   0.37945   0.39195   0.39581
 Alpha virt. eigenvalues --    0.40406   0.40655   0.41029   0.41373   0.42303
 Alpha virt. eigenvalues --    0.42445   0.43314   0.44504   0.44670   0.45362
 Alpha virt. eigenvalues --    0.46119   0.47968   0.49033   0.50015   0.50498
 Alpha virt. eigenvalues --    0.51076   0.51583   0.52146   0.52855   0.53131
 Alpha virt. eigenvalues --    0.53651   0.54564   0.54846   0.55311   0.55931
 Alpha virt. eigenvalues --    0.57068   0.57717   0.58711   0.59001   0.59086
 Alpha virt. eigenvalues --    0.60653   0.61615   0.62338   0.62808   0.63047
 Alpha virt. eigenvalues --    0.63552   0.63893   0.64901   0.65316   0.66094
 Alpha virt. eigenvalues --    0.67363   0.67568   0.68130   0.69778   0.70262
 Alpha virt. eigenvalues --    0.70752   0.71408   0.72091   0.72766   0.73720
 Alpha virt. eigenvalues --    0.73999   0.75575   0.76913   0.77581   0.78282
 Alpha virt. eigenvalues --    0.78518   0.79304   0.80317   0.80422   0.81545
 Alpha virt. eigenvalues --    0.82899   0.84480   0.84597   0.85441   0.87053
 Alpha virt. eigenvalues --    0.87314   0.87974   0.88598   0.90947   0.92034
 Alpha virt. eigenvalues --    0.92851   0.93457   0.95178   0.96267   0.97092
 Alpha virt. eigenvalues --    0.99374   0.99822   1.00354   1.01490   1.02210
 Alpha virt. eigenvalues --    1.04320   1.04859   1.06209   1.06810   1.07576
 Alpha virt. eigenvalues --    1.07801   1.08836   1.10224   1.11039   1.12999
 Alpha virt. eigenvalues --    1.13656   1.13935   1.14939   1.16103   1.17924
 Alpha virt. eigenvalues --    1.18710   1.20065   1.22527   1.24209   1.24925
 Alpha virt. eigenvalues --    1.25912   1.26384   1.28231   1.29761   1.30748
 Alpha virt. eigenvalues --    1.31523   1.34959   1.35682   1.37400   1.38518
 Alpha virt. eigenvalues --    1.40167   1.40959   1.41866   1.43374   1.44994
 Alpha virt. eigenvalues --    1.45964   1.47775   1.48248   1.49720   1.51069
 Alpha virt. eigenvalues --    1.52204   1.54750   1.56754   1.57458   1.58287
 Alpha virt. eigenvalues --    1.58531   1.61163   1.62350   1.63220   1.64533
 Alpha virt. eigenvalues --    1.65053   1.68509   1.69389   1.70772   1.72555
 Alpha virt. eigenvalues --    1.73462   1.74481   1.76028   1.77298   1.78903
 Alpha virt. eigenvalues --    1.79624   1.82086   1.82480   1.82798   1.84285
 Alpha virt. eigenvalues --    1.85046   1.88176   1.89684   1.90105   1.90783
 Alpha virt. eigenvalues --    1.92084   1.92358   1.94353   1.95121   1.97478
 Alpha virt. eigenvalues --    1.98601   1.99268   2.00710   2.01705   2.03334
 Alpha virt. eigenvalues --    2.05661   2.05814   2.06826   2.08075   2.09566
 Alpha virt. eigenvalues --    2.10920   2.12035   2.12521   2.15913   2.17005
 Alpha virt. eigenvalues --    2.17822   2.19194   2.20666   2.23032   2.23406
 Alpha virt. eigenvalues --    2.24689   2.26595   2.28250   2.29522   2.30175
 Alpha virt. eigenvalues --    2.32249   2.33209   2.36099   2.38658   2.39037
 Alpha virt. eigenvalues --    2.41316   2.43660   2.44504   2.45310   2.47976
 Alpha virt. eigenvalues --    2.49000   2.50840   2.54496   2.55159   2.55748
 Alpha virt. eigenvalues --    2.57784   2.59061   2.60127   2.66048   2.67762
 Alpha virt. eigenvalues --    2.69867   2.71389   2.72291   2.73134   2.76549
 Alpha virt. eigenvalues --    2.78261   2.79668   2.82395   2.85091   2.85587
 Alpha virt. eigenvalues --    2.98997   2.99995   3.06546   3.11360   3.14706
 Alpha virt. eigenvalues --    3.23781   3.30938   3.34164   3.38214   3.40698
 Alpha virt. eigenvalues --    3.41524   3.42395   3.43612   3.43908   3.44875
 Alpha virt. eigenvalues --    3.45304   3.47102   3.48551   3.49735   3.50490
 Alpha virt. eigenvalues --    3.51012   3.52222   3.52624   3.53522   3.55545
 Alpha virt. eigenvalues --    3.57382   3.59616   3.62104   3.65437   3.69146
 Alpha virt. eigenvalues --    3.73736   3.76252   3.84464   3.85911   3.94886
 Alpha virt. eigenvalues --    3.99551   4.01973   4.04187   4.06861   4.12939
 Alpha virt. eigenvalues --    4.35741
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.161640  -1.413999  -1.952150   0.193177  -0.003383   0.054548
     2  C   -1.413999   9.563711  -1.156023   0.663480   0.279650  -2.026047
     3  C   -1.952150  -1.156023  10.787485  -3.356613   0.217256   0.814661
     4  C    0.193177   0.663480  -3.356613  12.113617  -0.922349  -1.992097
     5  O   -0.003383   0.279650   0.217256  -0.922349   9.321842  -0.045607
     6  C    0.054548  -2.026047   0.814661  -1.992097  -0.045607   8.576901
     7  O   -0.698791   0.247963   0.156452   0.147086  -0.004954  -0.061875
     8  H   -1.185196   0.428406  -0.171978   0.046549   0.004396  -0.183490
     9  O    0.185746  -0.738120   0.148352  -0.050578  -0.021079   0.249389
    10  H   -0.297860  -1.050565   0.220098  -0.081943  -0.043188   0.383897
    11  H    0.095357   0.009510  -0.972705  -0.137116   0.049831   0.011538
    12  O    0.238588   0.006721  -0.626721   0.120186   0.000260   0.012164
    13  C   -0.589574   0.207571   0.128726  -0.737643   0.020672  -0.159120
    14  H   -0.154876   0.136032   0.724590  -1.802873   0.084192   0.089704
    15  O    0.104620   0.056224  -0.080137   0.188008  -0.083837  -0.226073
    16  H   -0.012458  -0.142142   0.102281   0.312107   0.024996  -0.888197
    17  H    0.147805  -0.111641  -0.010094  -0.019339  -0.002100   0.027788
    18  H   -0.039770   0.227055  -0.027329   0.012783   0.007979  -0.138953
    19  H   -0.070208  -0.005846   0.120841  -0.023518  -0.002482  -0.003360
    20  O   -0.002894   0.004090  -0.074274   0.145858  -0.056019   0.003125
    21  H    0.116121  -0.004002   0.050153  -0.261276   0.184198   0.056640
    22  H   -0.025397  -0.003722  -0.057834   0.641508  -0.143258  -0.025174
    23  H   -0.004937  -0.061135   0.026246  -0.078545  -0.008705   0.151284
    24  H   -0.000664   0.000234   0.037700  -0.060121   0.055612  -0.014834
               7          8          9         10         11         12
     1  C   -0.698791  -1.185196   0.185746  -0.297860   0.095357   0.238588
     2  C    0.247963   0.428406  -0.738120  -1.050565   0.009510   0.006721
     3  C    0.156452  -0.171978   0.148352   0.220098  -0.972705  -0.626721
     4  C    0.147086   0.046549  -0.050578  -0.081943  -0.137116   0.120186
     5  O   -0.004954   0.004396  -0.021079  -0.043188   0.049831   0.000260
     6  C   -0.061875  -0.183490   0.249389   0.383897   0.011538   0.012164
     7  O    8.651098  -0.050046  -0.019568   0.031377  -0.025400  -0.024796
     8  H   -0.050046   2.431752  -0.039071   0.090840   0.122721   0.034506
     9  O   -0.019568  -0.039071   8.627963  -0.019576  -0.006551  -0.005054
    10  H    0.031377   0.090840  -0.019576   2.216263   0.036347   0.003428
    11  H   -0.025400   0.122721  -0.006551   0.036347   2.372971  -0.036093
    12  O   -0.024796   0.034506  -0.005054   0.003428  -0.036093   8.600709
    13  C    0.003673   0.090215  -0.004832   0.040692  -0.024492   0.027305
    14  H   -0.007444  -0.006484  -0.016041  -0.008638   0.114574  -0.033603
    15  O   -0.002339  -0.002642  -0.003487  -0.018500  -0.008745   0.000252
    16  H    0.002268  -0.000941   0.043536   0.100264  -0.003043  -0.011233
    17  H    0.275891  -0.091402   0.020105  -0.015981   0.001749   0.004909
    18  H    0.004882   0.007713   0.262764  -0.092645  -0.001880   0.000238
    19  H    0.020426  -0.013455   0.000698   0.001320  -0.070907   0.293029
    20  O    0.000011  -0.003115  -0.000091  -0.006104   0.002806   0.013759
    21  H   -0.001291   0.014058  -0.000039   0.004644  -0.032464  -0.013761
    22  H    0.001050   0.003127   0.000121  -0.001601   0.019396   0.007075
    23  H   -0.000274  -0.003794   0.006075   0.002627   0.001623   0.000196
    24  H   -0.000452   0.000191  -0.000044   0.000844  -0.013122  -0.002590
              13         14         15         16         17         18
     1  C   -0.589574  -0.154876   0.104620  -0.012458   0.147805  -0.039770
     2  C    0.207571   0.136032   0.056224  -0.142142  -0.111641   0.227055
     3  C    0.128726   0.724590  -0.080137   0.102281  -0.010094  -0.027329
     4  C   -0.737643  -1.802873   0.188008   0.312107  -0.019339   0.012783
     5  O    0.020672   0.084192  -0.083837   0.024996  -0.002100   0.007979
     6  C   -0.159120   0.089704  -0.226073  -0.888197   0.027788  -0.138953
     7  O    0.003673  -0.007444  -0.002339   0.002268   0.275891   0.004882
     8  H    0.090215  -0.006484  -0.002642  -0.000941  -0.091402   0.007713
     9  O   -0.004832  -0.016041  -0.003487   0.043536   0.020105   0.262764
    10  H    0.040692  -0.008638  -0.018500   0.100264  -0.015981  -0.092645
    11  H   -0.024492   0.114574  -0.008745  -0.003043   0.001749  -0.001880
    12  O    0.027305  -0.033603   0.000252  -0.011233   0.004909   0.000238
    13  C    5.855722   0.026119  -0.025399   0.043210  -0.005557   0.001444
    14  H    0.026119   2.731043  -0.009586  -0.024716  -0.001569   0.002936
    15  O   -0.025399  -0.009586   8.465783  -0.094809  -0.000275   0.012701
    16  H    0.043210  -0.024716  -0.094809   2.187403  -0.000860  -0.024708
    17  H   -0.005557  -0.001569  -0.000275  -0.000860   0.670047  -0.002064
    18  H    0.001444   0.002936   0.012701  -0.024708  -0.002064   0.683325
    19  H    0.000862  -0.000385  -0.000087  -0.000057  -0.002282  -0.000315
    20  O    0.055696  -0.006562  -0.002285  -0.003268   0.000347   0.000195
    21  H   -0.184656  -0.066009   0.000742   0.005974  -0.000363  -0.000011
    22  H   -0.257204  -0.121711  -0.005698  -0.000873  -0.000028  -0.000007
    23  H   -0.003009  -0.003881   0.290327  -0.095598   0.000129  -0.002697
    24  H   -0.026055   0.010259   0.004721   0.002019  -0.000102   0.000016
              19         20         21         22         23         24
     1  C   -0.070208  -0.002894   0.116121  -0.025397  -0.004937  -0.000664
     2  C   -0.005846   0.004090  -0.004002  -0.003722  -0.061135   0.000234
     3  C    0.120841  -0.074274   0.050153  -0.057834   0.026246   0.037700
     4  C   -0.023518   0.145858  -0.261276   0.641508  -0.078545  -0.060121
     5  O   -0.002482  -0.056019   0.184198  -0.143258  -0.008705   0.055612
     6  C   -0.003360   0.003125   0.056640  -0.025174   0.151284  -0.014834
     7  O    0.020426   0.000011  -0.001291   0.001050  -0.000274  -0.000452
     8  H   -0.013455  -0.003115   0.014058   0.003127  -0.003794   0.000191
     9  O    0.000698  -0.000091  -0.000039   0.000121   0.006075  -0.000044
    10  H    0.001320  -0.006104   0.004644  -0.001601   0.002627   0.000844
    11  H   -0.070907   0.002806  -0.032464   0.019396   0.001623  -0.013122
    12  O    0.293029   0.013759  -0.013761   0.007075   0.000196  -0.002590
    13  C    0.000862   0.055696  -0.184656  -0.257204  -0.003009  -0.026055
    14  H   -0.000385  -0.006562  -0.066009  -0.121711  -0.003881   0.010259
    15  O   -0.000087  -0.002285   0.000742  -0.005698   0.290327   0.004721
    16  H   -0.000057  -0.003268   0.005974  -0.000873  -0.095598   0.002019
    17  H   -0.002282   0.000347  -0.000363  -0.000028   0.000129  -0.000102
    18  H   -0.000315   0.000195  -0.000011  -0.000007  -0.002697   0.000016
    19  H    0.653342  -0.001266  -0.003475   0.000220   0.000144  -0.000185
    20  O   -0.001266   8.276338  -0.148997   0.003695   0.001098   0.285994
    21  H   -0.003475  -0.148997   2.172103  -0.494754   0.000075   0.031270
    22  H    0.000220   0.003695  -0.494754   1.902428   0.001116  -0.069914
    23  H    0.000144   0.001098   0.000075   0.001116   0.670433  -0.001582
    24  H   -0.000185   0.285994   0.031270  -0.069914  -0.001582   0.643364
 Mulliken charges:
               1
     1  C    1.154555
     2  C    0.882596
     3  C    0.951018
     4  C    0.939649
     5  O   -0.913923
     6  C    1.333188
     7  O   -0.644947
     8  H   -0.522856
     9  O   -0.620622
    10  H   -0.496041
    11  H   -0.505904
    12  O   -0.609476
    13  C    1.515635
    14  H   -0.655069
    15  O   -0.559480
    16  H   -0.521150
    17  H    0.114887
    18  H    0.106347
    19  H    0.106945
    20  O   -0.488135
    21  H   -0.424878
    22  H   -0.372560
    23  H    0.112784
    24  H    0.117439
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.631698
     2  C    0.386555
     3  C    0.445114
     4  C    0.284580
     5  O   -0.913923
     6  C    0.812037
     7  O   -0.530061
     9  O   -0.514274
    12  O   -0.502531
    13  C    0.718196
    15  O   -0.446696
    20  O   -0.370696
 Electronic spatial extent (au):  <R**2>=           2114.0815
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.3073    Y=             -1.8910    Z=             -1.6336  Tot=              3.4012
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -77.3085   YY=            -67.0581   ZZ=            -72.5148
   XY=              0.4684   XZ=             -3.5545   YZ=              3.1624
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.0147   YY=              5.2357   ZZ=             -0.2210
   XY=              0.4684   XZ=             -3.5545   YZ=              3.1624
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -39.7926  YYY=            -16.6489  ZZZ=              2.9935  XYY=            -10.0568
  XXY=             -2.8565  XXZ=             -6.2508  XZZ=             -6.5803  YZZ=             -7.8209
  YYZ=             -5.9920  XYZ=              0.6978
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1457.4826 YYYY=           -793.4175 ZZZZ=           -213.7759 XXXY=             23.4554
 XXXZ=            -80.8502 YYYX=             18.9417 YYYZ=             22.8895 ZZZX=              3.3287
 ZZZY=             -3.9419 XXYY=           -372.0348 XXZZ=           -292.6147 YYZZ=           -195.8387
 XXYZ=             15.8554 YYXZ=             26.4105 ZZXY=             -2.0693
 N-N= 8.322132010642D+02 E-N=-3.277074094939D+03  KE= 6.834403512463D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 12:04:52 2021, MaxMem=  6442450944 cpu:              10.1 elap:               1.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-9.50149552D-01-7.53181633D-01-6.16387396D-01
 Polarizability= 1.02930924D+02 1.59990274D+00 9.62713087D+01
                -2.38552572D+00 4.73169925D-01 7.96383503D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9140    0.9146        0.6119    0.6103
 2     -0.9140   -0.9146       -0.1089   -0.1100       -3.5725   -3.5728
 3     -0.6119   -0.6103       12.1240   12.1237        0.1109    0.1100
 4      0.1089    0.1100       -0.0000    0.0000       -0.6094   -0.6103
 5     -8.5515   -8.5509        0.6094    0.6103        0.9148    0.9146
 6     -0.1109   -0.1100       -0.9148   -0.9146        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7437   -2.7437        1.8308    1.8308
 2      0.3299    0.3299       -0.0000    0.0000        1.8308    1.8308
 3      0.3299    0.3299       -2.7437   -2.7437        0.0000    0.0000
 4     -2.7437   -2.7437       -0.3299   -0.3299      -10.7183  -10.7183
 5     -1.8308   -1.8308       36.3710   36.3710        0.3299    0.3299
 6    -25.6527  -25.6527        1.8308    1.8308        2.7437    2.7437
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0371    0.0000       -3.6062   -3.6582       -2.3721   -2.4411
 2      3.6302    3.6582        0.4565    0.4399       14.1902   14.2911
 3      2.4201    2.4411      -48.4769  -48.4946       -0.4665   -0.4399
 4     -0.4345   -0.4399        0.0086    0.0000        2.4494    2.4411
 5     34.2030   34.2036       -2.4369   -2.4411       -3.6481   -3.6582
 6      0.4461    0.4399        3.7710    3.6582       -0.0090    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0221    0.0000        1.1907    1.2208       -3.9351   -3.9124
 2     -1.2472   -1.2208        7.0138    7.1650       10.8068   10.7176
 3      3.8899    3.9124       -0.3102   -0.3584       -7.1768   -7.1650
 4     -7.1752   -7.1650        0.0354    0.0000        3.9021    3.9124
 5    -10.3882  -10.3592       -3.9832   -3.9124        1.2192    1.2208
 6      7.1807    7.1650       -1.2135   -1.2208        0.0153    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -26.1694  -26.1606        9.5957    9.6123        1.9698    1.9679
 2    -40.8046  -40.7888       16.4767   16.4715        1.9645    1.9679
 3    -40.8385  -40.7888        9.6216    9.6123        3.7540    3.7510
 4     -6.8475   -6.8591       14.5107   14.6282        7.9245    7.8461
 5      1.7898    1.7831        1.7710    1.6953      -14.6244  -14.6282
 6     -9.5336   -9.5414       -1.7760   -1.7831        6.8440    6.8591
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2536    0.0009    0.0011    0.0011    1.5940    6.0913
 Low frequencies ---   71.0075   91.9562  118.6735
 Diagonal vibrational polarizability:
       79.5016150      49.8743605      62.4433998
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0072                91.9561               118.6734
 Red. masses --      6.1497                 5.4982                 6.6892
 Frc consts  --      0.0183                 0.0274                 0.0555
 IR Inten    --      1.0587                 2.4853                 2.4488
 RamAct Fr= 1--      0.0530                 0.2262                 0.0415
  Dep-P Fr= 1--      0.6595                 0.7478                 0.7360
  Dep-U Fr= 1--      0.7948                 0.8557                 0.8479
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0070                 0.0323                 0.0059
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0073                 0.0802                 0.0527
 Delta2 Fr= 1--     -0.0061                -0.0259                 0.0281
 Raman1 Fr= 1--       0.212                  0.905                  0.166
 ROA1   Fr= 1--      -0.893                  6.866                  5.961
 CID1   Fr= 1--      -4.215                  7.587                 35.895
 Raman2 Fr= 1--       0.084                  0.387                  0.070
 ROA2   Fr= 1--      -0.126                  2.132                  1.040
 CID2   Fr= 1--      -1.499                  5.505                 14.778
 Raman3 Fr= 1--       0.168                  0.774                  0.141
 ROA3   Fr= 1--      -0.893                  6.866                  5.961
 CID3   Fr= 1--      -5.304                  8.867                 42.334
 RC180  Fr= 1--       0.590                  0.711                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.07    -0.01   0.04   0.09
     2   6     0.07  -0.02   0.07    -0.04  -0.02  -0.02    -0.04   0.01  -0.05
     3   6     0.02   0.03  -0.11     0.02  -0.05  -0.02     0.01   0.08  -0.06
     4   6     0.05   0.00  -0.04    -0.03  -0.09   0.03     0.01   0.04   0.01
     5   8     0.01  -0.00  -0.11    -0.05  -0.04   0.11     0.04   0.06   0.09
     6   6     0.01   0.04  -0.08    -0.02  -0.00  -0.02     0.05  -0.01   0.05
     7   8     0.05  -0.01   0.05     0.09  -0.06   0.21     0.04  -0.06   0.30
     8   1    -0.10  -0.01   0.03    -0.04   0.10   0.10    -0.08   0.20   0.12
     9   8     0.03  -0.02   0.28    -0.02   0.04  -0.10     0.01  -0.00  -0.29
    10   1     0.23  -0.08   0.04    -0.11  -0.06  -0.01    -0.21   0.01  -0.03
    11   1     0.10   0.14  -0.12     0.08   0.00  -0.03     0.14   0.19  -0.08
    12   8    -0.04  -0.00  -0.27     0.01  -0.10  -0.12    -0.10   0.05  -0.27
    13   6     0.01  -0.00   0.17    -0.01  -0.05  -0.02     0.01   0.03   0.03
    14   1     0.18  -0.01  -0.05    -0.07  -0.16   0.03    -0.00  -0.02   0.01
    15   8     0.01  -0.01  -0.19    -0.12  -0.01  -0.15     0.09   0.00   0.12
    16   1    -0.01   0.16  -0.07     0.10   0.06  -0.03     0.07  -0.09   0.04
    17   1     0.03  -0.05   0.17     0.10   0.04   0.19     0.05   0.06   0.23
    18   1     0.10  -0.08   0.25    -0.06   0.03  -0.18    -0.05   0.04  -0.28
    19   1     0.03   0.02  -0.24     0.12  -0.07  -0.06     0.01   0.07  -0.20
    20   8    -0.21   0.01   0.20     0.14   0.34   0.02    -0.09  -0.22  -0.00
    21   1     0.05  -0.01   0.25    -0.02  -0.14  -0.32     0.01   0.09   0.21
    22   1     0.09  -0.01   0.23    -0.10  -0.22   0.19     0.06   0.14  -0.11
    23   1    -0.02   0.04  -0.28    -0.08   0.01  -0.15     0.14  -0.02   0.19
    24   1    -0.27   0.02   0.11     0.28   0.32   0.28    -0.21  -0.17  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.5943               231.3316               241.7153
 Red. masses --      6.3874                 2.9487                 2.9404
 Frc consts  --      0.0744                 0.0930                 0.1012
 IR Inten    --      0.7573                19.8499                 5.8194
 RamAct Fr= 1--      0.0516                 0.2939                 0.4227
  Dep-P Fr= 1--      0.6772                 0.4884                 0.7310
  Dep-U Fr= 1--      0.8075                 0.6563                 0.8446
 Alpha2 Fr= 1--      0.0001                 0.0015                 0.0001
 Beta2  Fr= 1--      0.0069                 0.0321                 0.0595
 AlphaG Fr= 1--      0.0000                -0.0046                 0.0011
 Gamma2 Fr= 1--     -0.0047                 0.0453                -0.0517
 Delta2 Fr= 1--     -0.0183                 0.0631                -0.0629
 Raman1 Fr= 1--       0.206                  1.176                  1.691
 ROA1   Fr= 1--      -1.033                  6.364                 -6.979
 CID1   Fr= 1--      -5.009                  5.414                 -4.127
 Raman2 Fr= 1--       0.083                  0.386                  0.714
 ROA2   Fr= 1--       0.034                  0.582                 -0.738
 CID2   Fr= 1--       0.409                  1.508                 -1.034
 Raman3 Fr= 1--       0.167                  0.772                  1.428
 ROA3   Fr= 1--      -1.033                  6.364                 -6.979
 CID3   Fr= 1--      -6.203                  8.249                 -4.887
 RC180  Fr= 1--       0.615                  0.313                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01    -0.03   0.08  -0.04
     2   6    -0.02   0.00   0.07    -0.03   0.01   0.05     0.06   0.03  -0.06
     3   6    -0.01   0.07   0.05    -0.03  -0.04  -0.02    -0.02   0.02  -0.01
     4   6     0.00   0.00   0.17    -0.01  -0.02  -0.03    -0.02  -0.00   0.02
     5   8     0.00   0.05   0.28     0.02  -0.02   0.04     0.02  -0.05  -0.02
     6   6     0.04   0.05   0.03     0.03   0.03   0.04     0.02   0.01  -0.02
     7   8    -0.10   0.06  -0.13     0.22   0.12  -0.01    -0.12  -0.01   0.05
     8   1     0.01  -0.11  -0.00    -0.07   0.00   0.02    -0.02   0.13  -0.03
     9   8    -0.02  -0.02   0.08    -0.04  -0.20  -0.02     0.02  -0.14   0.02
    10   1    -0.01  -0.00   0.07    -0.04   0.05   0.05     0.12   0.05  -0.06
    11   1     0.01   0.22   0.05    -0.04  -0.09  -0.02    -0.06   0.04  -0.00
    12   8    -0.08   0.02  -0.13    -0.06   0.01   0.05     0.15  -0.10  -0.04
    13   6     0.04  -0.00   0.01    -0.00   0.05  -0.02     0.01   0.11   0.02
    14   1    -0.07  -0.08   0.17    -0.04  -0.06  -0.03    -0.01   0.00   0.02
    15   8    -0.08  -0.00  -0.26    -0.03   0.03  -0.02    -0.12   0.12   0.06
    16   1     0.27   0.20   0.01     0.04   0.08   0.05     0.03  -0.04  -0.03
    17   1    -0.10  -0.00  -0.16     0.27   0.54  -0.23    -0.14  -0.18   0.18
    18   1     0.01  -0.08  -0.05     0.15  -0.42  -0.29     0.20  -0.30  -0.11
    19   1    -0.13   0.05  -0.26    -0.21  -0.04  -0.01     0.44  -0.02   0.09
    20   8     0.23  -0.22  -0.06    -0.06   0.01  -0.02     0.02  -0.01  -0.01
    21   1    -0.01   0.05   0.05    -0.04   0.09   0.04    -0.10   0.22   0.12
    22   1    -0.00   0.10  -0.16     0.07   0.08  -0.04     0.13   0.22  -0.07
    23   1    -0.01   0.07  -0.34    -0.16   0.06  -0.13    -0.45   0.08  -0.05
    24   1     0.24  -0.22  -0.06    -0.08   0.01  -0.06     0.11  -0.13  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    253.1725               267.2265               285.6060
 Red. masses --      3.9731                 2.4207                 1.8791
 Frc consts  --      0.1500                 0.1018                 0.0903
 IR Inten    --      2.6964                 4.1559                68.1916
 RamAct Fr= 1--      0.7743                 0.2241                 0.8245
  Dep-P Fr= 1--      0.2350                 0.3550                 0.4479
  Dep-U Fr= 1--      0.3806                 0.5240                 0.6187
 Alpha2 Fr= 1--      0.0096                 0.0019                 0.0051
 Beta2  Fr= 1--      0.0491                 0.0196                 0.0850
 AlphaG Fr= 1--     -0.0017                 0.0034                 0.0150
 Gamma2 Fr= 1--     -0.1095                 0.0209                -0.2496
 Delta2 Fr= 1--      0.0074                 0.0568                 0.0035
 Raman1 Fr= 1--       3.097                  0.896                  3.298
 ROA1   Fr= 1--     -10.279                  3.823                -23.847
 CID1   Fr= 1--      -3.319                  4.265                 -7.231
 Raman2 Fr= 1--       0.589                  0.235                  1.020
 ROA2   Fr= 1--      -2.688                  0.047                 -6.017
 CID2   Fr= 1--      -4.561                  0.201                 -5.898
 Raman3 Fr= 1--       1.179                  0.470                  2.041
 ROA3   Fr= 1--     -10.279                  3.823                -23.847
 CID3   Fr= 1--      -8.720                  8.139                -11.687
 RC180  Fr= 1--      -0.239                  0.048                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02     0.02  -0.04   0.02    -0.06   0.04  -0.05
     2   6    -0.03   0.00  -0.00    -0.01  -0.02   0.03    -0.07   0.02  -0.05
     3   6    -0.03  -0.03   0.02    -0.02  -0.06   0.01    -0.05  -0.01  -0.04
     4   6     0.06  -0.01   0.03    -0.04  -0.03   0.00    -0.00  -0.00   0.01
     5   8    -0.02  -0.07  -0.22     0.01  -0.05   0.04    -0.03   0.03  -0.01
     6   6    -0.07   0.00  -0.05    -0.01  -0.05   0.03    -0.03   0.02  -0.04
     7   8     0.05  -0.00   0.00     0.06  -0.01  -0.02     0.04   0.04   0.03
     8   1     0.01  -0.04   0.02     0.01  -0.07   0.01    -0.08   0.10  -0.04
     9   8    -0.02   0.04  -0.02     0.02   0.13  -0.01    -0.11  -0.03   0.05
    10   1    -0.05  -0.04  -0.01    -0.05  -0.02   0.03    -0.01   0.03  -0.06
    11   1    -0.01   0.02   0.02    -0.00  -0.07   0.01    -0.11  -0.01  -0.02
    12   8    -0.17   0.03  -0.04     0.02  -0.09  -0.00     0.05  -0.07  -0.01
    13   6     0.08   0.04   0.11     0.01   0.23   0.00     0.01   0.02   0.04
    14   1     0.23   0.11   0.03    -0.08  -0.05   0.00     0.05  -0.02   0.00
    15   8    -0.07   0.06   0.09    -0.01  -0.07  -0.03     0.06  -0.01  -0.02
    16   1    -0.21  -0.02  -0.03     0.02  -0.02   0.03    -0.01  -0.01  -0.05
    17   1     0.07   0.11  -0.07     0.06   0.03  -0.04     0.05   0.14   0.05
    18   1    -0.05   0.05  -0.03    -0.13   0.29   0.15    -0.06  -0.02   0.15
    19   1    -0.37  -0.02  -0.15    -0.01  -0.07  -0.08     0.25  -0.04   0.13
    20   8     0.23  -0.04   0.09    -0.06   0.02  -0.02     0.07  -0.03   0.02
    21   1    -0.00   0.12   0.15    -0.22   0.47   0.22    -0.03   0.05   0.06
    22   1     0.16   0.12   0.04     0.33   0.44  -0.14     0.03   0.05   0.00
    23   1    -0.33   0.03   0.00     0.01  -0.04  -0.06     0.72  -0.09   0.44
    24   1     0.48  -0.27   0.07     0.06  -0.16  -0.21     0.14  -0.09   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    300.0200               333.9123               367.6705
 Red. masses --      3.6516                 1.4431                 1.2650
 Frc consts  --      0.1937                 0.0948                 0.1008
 IR Inten    --     10.0981                32.2038                88.7901
 RamAct Fr= 1--      0.4578                 2.6076                 1.1853
  Dep-P Fr= 1--      0.6741                 0.3162                 0.6887
  Dep-U Fr= 1--      0.8053                 0.4805                 0.8157
 Alpha2 Fr= 1--      0.0006                 0.0255                 0.0013
 Beta2  Fr= 1--      0.0614                 0.2088                 0.1611
 AlphaG Fr= 1--     -0.0035                -0.0328                 0.0000
 Gamma2 Fr= 1--      0.1694                 0.3171                -0.0256
 Delta2 Fr= 1--      0.1418                 0.5625                -0.3607
 Raman1 Fr= 1--       1.831                 10.431                  4.741
 ROA1   Fr= 1--      20.801                 48.442                -14.005
 CID1   Fr= 1--      11.359                  4.644                 -2.954
 Raman2 Fr= 1--       0.737                  2.506                  1.934
 ROA2   Fr= 1--       2.931                  3.111                  2.270
 CID2   Fr= 1--       3.975                  1.242                  1.174
 Raman3 Fr= 1--       1.475                  5.012                  3.867
 ROA3   Fr= 1--      20.801                 48.442                -14.005
 CID3   Fr= 1--      14.105                  9.666                 -3.621
 RC180  Fr= 1--       0.611                 -0.039                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.17     0.03  -0.02   0.04    -0.00  -0.04   0.01
     2   6     0.03  -0.00  -0.15     0.05  -0.00   0.02    -0.02   0.00   0.06
     3   6    -0.02  -0.02  -0.14     0.02  -0.01   0.04     0.00  -0.03  -0.02
     4   6     0.04  -0.04  -0.05    -0.00  -0.01   0.00     0.02  -0.01  -0.03
     5   8     0.01   0.02   0.16     0.01  -0.05  -0.01     0.00   0.01  -0.00
     6   6     0.02  -0.04  -0.05     0.02   0.02  -0.01    -0.01   0.03   0.04
     7   8     0.09  -0.13   0.04    -0.03  -0.01  -0.01     0.02   0.00  -0.05
     8   1    -0.05   0.10  -0.14     0.05  -0.04   0.03    -0.02  -0.09   0.01
     9   8    -0.01   0.02   0.07     0.06   0.01   0.01    -0.01   0.04  -0.00
    10   1     0.17   0.03  -0.16     0.04  -0.04   0.01    -0.06   0.00   0.06
    11   1    -0.13  -0.11  -0.12     0.05  -0.01   0.03     0.04  -0.05  -0.03
    12   8    -0.08   0.14   0.09    -0.02  -0.01   0.00    -0.06   0.01  -0.02
    13   6     0.06   0.02   0.01    -0.00   0.01  -0.02     0.03   0.00   0.00
    14   1     0.03  -0.23  -0.06    -0.04   0.01   0.01     0.03  -0.04  -0.03
    15   8    -0.12   0.07   0.01    -0.08   0.08  -0.02    -0.00   0.01  -0.00
    16   1     0.18  -0.17  -0.08     0.04   0.04  -0.02    -0.02   0.07   0.04
    17   1     0.05  -0.26   0.40    -0.04  -0.07  -0.03    -0.04  -0.26   0.34
    18   1     0.00   0.11   0.33     0.10  -0.15  -0.35     0.03  -0.16  -0.47
    19   1    -0.28   0.02   0.16    -0.29  -0.01  -0.28     0.42  -0.02   0.58
    20   8     0.00  -0.02   0.00    -0.03   0.01  -0.01    -0.00  -0.00   0.00
    21   1     0.01   0.08   0.06    -0.02   0.03  -0.00     0.01   0.02   0.02
    22   1     0.15   0.07  -0.01     0.02   0.02  -0.02     0.07   0.02   0.00
    23   1    -0.10  -0.04   0.19     0.56  -0.07   0.54     0.07   0.02   0.02
    24   1    -0.08   0.04  -0.02    -0.05   0.02  -0.02     0.01  -0.02  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    380.8914               385.3337               406.5894
 Red. masses --      1.2778                 1.5244                 1.7773
 Frc consts  --      0.1092                 0.1334                 0.1731
 IR Inten    --     69.7508               140.9349               115.4456
 RamAct Fr= 1--      1.4401                 0.8902                 2.6709
  Dep-P Fr= 1--      0.6517                 0.5649                 0.7470
  Dep-U Fr= 1--      0.7891                 0.7219                 0.8552
 Alpha2 Fr= 1--      0.0025                 0.0031                 0.0001
 Beta2  Fr= 1--      0.1894                 0.1071                 0.3807
 AlphaG Fr= 1--     -0.0011                -0.0062                 0.0001
 Gamma2 Fr= 1--      0.0563                -0.0480                -0.3858
 Delta2 Fr= 1--      0.1648                -0.1960                -0.3916
 Raman1 Fr= 1--       5.760                  3.561                 10.683
 ROA1   Fr= 1--      10.680                -10.881                -49.566
 CID1   Fr= 1--       1.854                 -3.056                 -4.640
 Raman2 Fr= 1--       2.273                  1.285                  4.568
 ROA2   Fr= 1--       0.034                  0.416                 -6.126
 CID2   Fr= 1--       0.015                  0.324                 -1.341
 Raman3 Fr= 1--       4.545                  2.571                  9.136
 ROA3   Fr= 1--      10.680                -10.881                -49.566
 CID3   Fr= 1--       2.350                 -4.233                 -5.425
 RC180  Fr= 1--       0.578                  0.444                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.01     0.00  -0.00   0.04     0.04   0.03  -0.00
     2   6    -0.01   0.02   0.02     0.02   0.01   0.04     0.06  -0.02  -0.03
     3   6    -0.02  -0.03   0.01    -0.00  -0.02   0.02     0.01   0.06   0.03
     4   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.07   0.02   0.04
     5   8     0.01  -0.01  -0.01     0.04  -0.04  -0.01    -0.04  -0.02   0.01
     6   6     0.02   0.03   0.02     0.03   0.03   0.02    -0.01  -0.06  -0.02
     7   8     0.02   0.07  -0.03    -0.02   0.02  -0.01     0.05   0.05  -0.02
     8   1    -0.04  -0.01   0.01     0.02  -0.03   0.04     0.06   0.04  -0.01
     9   8    -0.01  -0.03  -0.05     0.04  -0.06  -0.07     0.06  -0.03  -0.01
    10   1    -0.05   0.03   0.03    -0.03   0.01   0.04     0.08  -0.04  -0.04
    11   1    -0.03  -0.03   0.01     0.05  -0.02   0.01     0.03   0.09   0.02
    12   8     0.00  -0.04   0.02    -0.07  -0.00  -0.02    -0.01   0.08  -0.02
    13   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.01    -0.09  -0.02   0.01
    14   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.09   0.03   0.04
    15   8     0.04   0.02  -0.01    -0.05   0.07  -0.03    -0.03  -0.07  -0.00
    16   1     0.00   0.07   0.02     0.03   0.09   0.02    -0.02  -0.09  -0.03
    17   1    -0.08  -0.43   0.73    -0.01   0.06  -0.14     0.03  -0.05   0.17
    18   1    -0.04   0.07   0.19    -0.09   0.33   0.74     0.06   0.01   0.09
    19   1    -0.27  -0.02  -0.34     0.25  -0.02   0.37     0.10   0.07   0.15
    20   8    -0.00   0.00   0.00    -0.01   0.00  -0.01    -0.04   0.03   0.01
    21   1     0.01  -0.02  -0.01     0.02  -0.02  -0.02    -0.07  -0.05  -0.03
    22   1    -0.02  -0.02   0.01     0.01  -0.02  -0.00    -0.13  -0.04   0.02
    23   1    -0.00   0.05  -0.08     0.14   0.02   0.14     0.09  -0.09   0.09
    24   1     0.01  -0.01   0.00    -0.10   0.08  -0.00     0.61  -0.61  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.6217               427.2696               455.6707
 Red. masses --      2.1974                 3.7149                 5.1156
 Frc consts  --      0.2291                 0.3996                 0.6258
 IR Inten    --     50.4607                19.3997                14.0742
 RamAct Fr= 1--      2.4510                 2.1659                 2.9149
  Dep-P Fr= 1--      0.6947                 0.5769                 0.0603
  Dep-U Fr= 1--      0.8198                 0.7317                 0.1138
 Alpha2 Fr= 1--      0.0024                 0.0070                 0.0562
 Beta2  Fr= 1--      0.3349                 0.2641                 0.0553
 AlphaG Fr= 1--      0.0024                 0.0031                -0.0148
 Gamma2 Fr= 1--     -0.9662                 0.4387                -0.0312
 Delta2 Fr= 1--     -0.3184                 0.3415                 0.0460
 Raman1 Fr= 1--       9.804                  8.664                 11.660
 ROA1   Fr= 1--    -102.943                 53.046                 -1.518
 CID1   Fr= 1--     -10.500                  6.123                 -0.130
 Raman2 Fr= 1--       4.019                  3.170                  0.663
 ROA2   Fr= 1--     -20.641                  7.797                 -1.116
 CID2   Fr= 1--      -5.136                  2.460                 -1.683
 Raman3 Fr= 1--       8.038                  6.339                  1.327
 ROA3   Fr= 1--    -102.943                 53.046                 -1.518
 CID3   Fr= 1--     -12.808                  8.368                 -1.145
 RC180  Fr= 1--       0.640                  0.463                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.03     0.06  -0.12   0.05     0.07  -0.10   0.03
     2   6    -0.01  -0.06  -0.03    -0.09  -0.04   0.11    -0.04  -0.02  -0.15
     3   6     0.05   0.07   0.09     0.14   0.01  -0.04     0.03  -0.08   0.22
     4   6    -0.01   0.08   0.07     0.07   0.04  -0.09     0.01   0.07   0.10
     5   8    -0.05   0.03  -0.03    -0.06   0.15   0.00     0.01   0.13   0.05
     6   6    -0.07  -0.07  -0.04    -0.10   0.08   0.07     0.06   0.07  -0.16
     7   8     0.10   0.01  -0.05    -0.01  -0.13  -0.03     0.07  -0.10  -0.06
     8   1     0.14  -0.06   0.01     0.03  -0.20   0.03     0.34  -0.07  -0.02
     9   8    -0.02  -0.06  -0.00    -0.10  -0.10  -0.05    -0.09   0.00   0.07
    10   1    -0.01  -0.13  -0.04    -0.20  -0.01   0.12     0.03  -0.21  -0.18
    11   1     0.07   0.18   0.09     0.22  -0.05  -0.06     0.07   0.02   0.21
    12   8     0.03   0.04  -0.04     0.14   0.07   0.00    -0.13  -0.18  -0.06
    13   6    -0.02   0.06   0.00     0.07   0.01  -0.00    -0.03  -0.00  -0.05
    14   1    -0.02   0.17   0.09     0.09   0.01  -0.09    -0.09   0.24   0.12
    15   8    -0.09  -0.06   0.01    -0.08   0.03  -0.01     0.12   0.19   0.05
    16   1    -0.09  -0.13  -0.04    -0.15   0.17   0.09     0.16  -0.09  -0.19
    17   1     0.06  -0.14   0.25     0.00  -0.16  -0.12     0.08  -0.09  -0.06
    18   1    -0.02  -0.02   0.08    -0.12   0.01   0.21    -0.00  -0.05   0.06
    19   1     0.15   0.07   0.01    -0.09   0.05  -0.21     0.10  -0.12   0.05
    20   8     0.05  -0.02  -0.02    -0.04   0.03   0.02    -0.10   0.04  -0.04
    21   1    -0.04   0.08   0.01     0.07   0.04   0.06     0.05  -0.07  -0.08
    22   1    -0.04   0.09  -0.05     0.17   0.03   0.02    -0.13  -0.05  -0.03
    23   1     0.01  -0.11   0.14     0.08   0.04   0.06    -0.24   0.11  -0.02
    24   1    -0.52   0.54   0.13     0.39  -0.43  -0.16     0.20  -0.26  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    517.5716               567.8895               593.2295
 Red. masses --      5.2230                 3.2338                 3.8922
 Frc consts  --      0.8243                 0.6145                 0.8070
 IR Inten    --     34.8829                 3.8377                27.3312
 RamAct Fr= 1--     11.5921                 1.1150                 0.2862
  Dep-P Fr= 1--      0.1036                 0.2711                 0.5342
  Dep-U Fr= 1--      0.1878                 0.4266                 0.6964
 Alpha2 Fr= 1--      0.2012                 0.0124                 0.0012
 Beta2  Fr= 1--      0.3628                 0.0793                 0.0332
 AlphaG Fr= 1--      0.0099                 0.0057                 0.0001
 Gamma2 Fr= 1--      0.1646                 0.1080                 0.1214
 Delta2 Fr= 1--     -0.0619                 0.1112                -0.0002
 Raman1 Fr= 1--      46.368                  4.460                  1.145
 ROA1   Fr= 1--      13.816                 13.928                 11.649
 CID1   Fr= 1--       0.298                  3.123                 10.177
 Raman2 Fr= 1--       4.354                  0.951                  0.399
 ROA2   Fr= 1--       4.445                  1.702                  2.915
 CID2   Fr= 1--       1.021                  1.789                  7.314
 Raman3 Fr= 1--       8.707                  1.903                  0.797
 ROA3   Fr= 1--      13.816                 13.928                 11.649
 CID3   Fr= 1--       1.587                  7.321                 14.614
 RC180  Fr= 1--      -0.624                 -0.147                  0.393
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.14    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.12  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.05  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.17   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.13  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.22   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.14   0.14   0.13    -0.30  -0.13  -0.03    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.06  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.58  -0.02
    11   1     0.29  -0.03   0.01    -0.31   0.17   0.04     0.05  -0.23  -0.13
    12   8     0.01   0.07  -0.03     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.19  -0.05  -0.06     0.02  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.04     0.05   0.25   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.06  -0.17  -0.17
    17   1    -0.12   0.04   0.04     0.08   0.14   0.10    -0.03   0.12   0.02
    18   1    -0.15  -0.04  -0.05    -0.16   0.13  -0.07    -0.07   0.13  -0.03
    19   1    -0.03   0.04   0.00     0.15   0.05  -0.12     0.00  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.01     0.29  -0.24  -0.11     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.02  -0.00   0.05
    23   1    -0.15  -0.15   0.13    -0.06  -0.08   0.15    -0.16  -0.10   0.17
    24   1     0.04  -0.14  -0.19     0.11  -0.17  -0.11     0.04   0.01   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    630.5132               719.2839               910.3776
 Red. masses --      5.1667                 3.9538                 3.1282
 Frc consts  --      1.2102                 1.2052                 1.5275
 IR Inten    --     32.8417                 2.2993                32.6236
 RamAct Fr= 1--      0.0481                 0.7116                 4.5894
  Dep-P Fr= 1--      0.5536                 0.3756                 0.3306
  Dep-U Fr= 1--      0.7126                 0.5461                 0.4970
 Alpha2 Fr= 1--      0.0002                 0.0057                 0.0429
 Beta2  Fr= 1--      0.0057                 0.0648                 0.3801
 AlphaG Fr= 1--      0.0003                 0.0046                -0.0391
 Gamma2 Fr= 1--      0.0361                 0.1771                -0.2216
 Delta2 Fr= 1--      0.0458                 0.0868                -0.5436
 Raman1 Fr= 1--       0.192                  2.846                 18.358
 ROA1   Fr= 1--       4.933                 19.781                -38.667
 CID1   Fr= 1--      25.656                  6.949                 -2.106
 Raman2 Fr= 1--       0.069                  0.777                  4.561
 ROA2   Fr= 1--       0.500                  3.556                 -0.970
 CID2   Fr= 1--       7.295                  4.576                 -0.213
 Raman3 Fr= 1--       0.137                  1.554                  9.123
 ROA3   Fr= 1--       4.933                 19.781                -38.667
 CID3   Fr= 1--      36.002                 12.725                 -4.238
 RC180  Fr= 1--       0.425                  0.092                 -0.006
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.00  -0.03  -0.04
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.00  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.08  -0.07  -0.07
     4   6     0.11   0.11  -0.06     0.11  -0.08   0.19     0.16  -0.08   0.18
     5   8    -0.04   0.21   0.00    -0.15  -0.05   0.02     0.05   0.11  -0.05
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.09     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.26  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.01
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.36  -0.03     0.08  -0.18   0.02    -0.01   0.02   0.02
    11   1    -0.05  -0.17   0.08    -0.31   0.32   0.08    -0.05   0.06  -0.03
    12   8    -0.14  -0.18   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.18  -0.01  -0.02     0.25  -0.06  -0.07    -0.16  -0.06   0.09
    14   1     0.11   0.19  -0.05     0.05  -0.04   0.20     0.62  -0.04   0.13
    15   8    -0.14  -0.20  -0.01     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.02  -0.02   0.01
    17   1    -0.05  -0.02  -0.01     0.02   0.15   0.10    -0.04  -0.00  -0.00
    18   1     0.21  -0.08   0.05    -0.02   0.06  -0.04    -0.05   0.02  -0.01
    19   1    -0.07  -0.13  -0.04     0.08   0.07  -0.04    -0.14  -0.12   0.13
    20   8    -0.03   0.02   0.00    -0.09   0.05  -0.07    -0.04   0.03  -0.15
    21   1     0.32  -0.10  -0.01     0.16   0.02  -0.06    -0.49   0.18   0.06
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.07     0.01   0.14  -0.14
    23   1     0.10  -0.10  -0.04     0.02   0.06  -0.04    -0.04  -0.07   0.06
    24   1     0.01  -0.08  -0.15    -0.07  -0.04  -0.27     0.07   0.06   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    922.4700              1014.3746              1023.7932
 Red. masses --      1.9912                 3.8960                 3.9067
 Frc consts  --      0.9983                 2.3619                 2.4126
 IR Inten    --      5.4616                99.1692                52.4279
 RamAct Fr= 1--      2.2726                 0.5838                 1.3514
  Dep-P Fr= 1--      0.2722                 0.2557                 0.2607
  Dep-U Fr= 1--      0.4279                 0.4072                 0.4136
 Alpha2 Fr= 1--      0.0253                 0.0068                 0.0155
 Beta2  Fr= 1--      0.1621                 0.0396                 0.0932
 AlphaG Fr= 1--     -0.0323                 0.0095                -0.0258
 Gamma2 Fr= 1--     -0.2157                 0.6641                 0.3621
 Delta2 Fr= 1--      0.2326                 0.7142                 0.3573
 Raman1 Fr= 1--       9.091                  2.335                  5.406
 ROA1   Fr= 1--     -13.265                 86.607                 46.196
 CID1   Fr= 1--      -1.459                 37.086                  8.546
 Raman2 Fr= 1--       1.945                  0.475                  1.118
 ROA2   Fr= 1--      -7.037                 10.225                  5.833
 CID2   Fr= 1--      -3.619                 21.504                  5.218
 Raman3 Fr= 1--       3.889                  0.951                  2.236
 ROA3   Fr= 1--     -13.265                 86.607                 46.196
 CID3   Fr= 1--      -3.411                 91.071                 20.662
 RC180  Fr= 1--      -0.144                 -0.186                 -0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03     0.07   0.10   0.20     0.23   0.05  -0.16
     2   6    -0.01  -0.02  -0.01     0.12   0.17   0.08     0.11  -0.16   0.17
     3   6    -0.02   0.07   0.11    -0.13   0.15  -0.09     0.01   0.09  -0.11
     4   6    -0.05  -0.08  -0.07     0.02  -0.02  -0.01    -0.08  -0.02   0.06
     5   8     0.02   0.08  -0.04    -0.01   0.00   0.01     0.00   0.04  -0.03
     6   6     0.09  -0.02   0.04     0.06   0.01  -0.14    -0.01  -0.08  -0.01
     7   8     0.01  -0.02  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1    -0.01  -0.01  -0.04    -0.09  -0.10   0.18     0.08   0.11  -0.12
     9   8     0.01   0.01   0.00    -0.11   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.04   0.07     0.06  -0.15   0.16
    11   1    -0.06   0.14   0.12    -0.16   0.10  -0.07    -0.29   0.17  -0.04
    12   8    -0.00   0.01  -0.00    -0.05  -0.06   0.06    -0.06  -0.08   0.05
    13   6     0.01  -0.15  -0.06     0.03  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.23   0.10  -0.05     0.20  -0.23  -0.05    -0.23   0.01   0.07
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.06  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.08     0.05  -0.28  -0.21    -0.03  -0.39  -0.28
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.17    -0.38   0.10  -0.14
    19   1     0.13   0.11  -0.11     0.22   0.16  -0.20    -0.04  -0.07   0.05
    20   8     0.01   0.01   0.04    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.38   0.23   0.23    -0.03   0.01   0.12     0.01   0.02  -0.06
    22   1     0.61   0.12  -0.13     0.12   0.02  -0.00     0.08  -0.01  -0.04
    23   1    -0.04  -0.04   0.04    -0.11  -0.18   0.13    -0.14  -0.11   0.16
    24   1     0.07   0.05   0.27     0.04   0.02   0.06    -0.04  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1039.1561              1064.6092              1075.0355
 Red. masses --      2.8629                 4.2173                 4.6457
 Frc consts  --      1.8215                 2.8162                 3.1634
 IR Inten    --     32.9089                13.7859               150.9676
 RamAct Fr= 1--      0.5585                10.5825                 2.4899
  Dep-P Fr= 1--      0.6884                 0.1419                 0.6940
  Dep-U Fr= 1--      0.8154                 0.2485                 0.8194
 Alpha2 Fr= 1--      0.0006                 0.1670                 0.0024
 Beta2  Fr= 1--      0.0759                 0.4383                 0.3400
 AlphaG Fr= 1--      0.0056                 0.0913                -0.0087
 Gamma2 Fr= 1--      0.7315                -0.9460                -1.5973
 Delta2 Fr= 1--      0.3934                -0.5978                -0.4651
 Raman1 Fr= 1--       2.234                 42.330                  9.960
 ROA1   Fr= 1--      82.816               -109.944               -168.228
 CID1   Fr= 1--      37.069                 -2.597                -16.891
 Raman2 Fr= 1--       0.911                  5.260                  4.080
 ROA2   Fr= 1--      14.410                -17.921                -34.615
 CID2   Fr= 1--      15.820                 -3.407                 -8.483
 Raman3 Fr= 1--       1.822                 10.520                  8.161
 ROA3   Fr= 1--      82.816               -109.944               -168.228
 CID3   Fr= 1--      45.460                -10.451                -20.614
 RC180  Fr= 1--       0.631                 -0.503                  0.639
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.01     0.07  -0.01   0.15     0.01   0.05   0.08
     2   6    -0.00   0.15   0.09    -0.01  -0.09  -0.21    -0.01   0.01  -0.07
     3   6     0.06  -0.12  -0.03    -0.12  -0.02  -0.11    -0.02   0.06  -0.05
     4   6    -0.09  -0.06   0.14    -0.12  -0.09   0.14     0.02  -0.12   0.07
     5   8     0.01   0.09  -0.05    -0.08   0.09  -0.13     0.28   0.05   0.01
     6   6     0.09  -0.04  -0.11     0.17   0.06   0.22    -0.29   0.10  -0.02
     7   8    -0.01  -0.02  -0.01     0.02   0.01  -0.02     0.02  -0.03  -0.04
     8   1    -0.22  -0.12   0.02     0.12   0.11   0.15    -0.12   0.03   0.10
     9   8    -0.01   0.01  -0.02     0.00   0.01   0.04     0.03  -0.01   0.01
    10   1    -0.03   0.25   0.11    -0.14  -0.23  -0.20     0.01  -0.38  -0.13
    11   1     0.09  -0.02  -0.03    -0.10   0.06  -0.11    -0.10   0.14  -0.03
    12   8     0.04   0.04  -0.03     0.03   0.03   0.00    -0.02  -0.03   0.03
    13   6     0.03   0.05  -0.13     0.11   0.02   0.01    -0.08   0.00  -0.19
    14   1    -0.29   0.07   0.16    -0.11  -0.19   0.12     0.06  -0.09   0.04
    15   8    -0.01  -0.05   0.00    -0.05  -0.01   0.00    -0.03  -0.03   0.04
    16   1     0.12  -0.06  -0.12     0.15  -0.04   0.21    -0.19  -0.05  -0.03
    17   1    -0.01   0.07   0.06     0.01  -0.24  -0.17     0.01  -0.05  -0.03
    18   1     0.21  -0.09   0.08     0.02  -0.01   0.03     0.06  -0.03  -0.01
    19   1    -0.25  -0.20   0.23    -0.06  -0.04   0.06     0.06   0.05  -0.07
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.00     0.01  -0.02   0.15
    21   1     0.01   0.01  -0.26     0.08  -0.03  -0.20    -0.28   0.11  -0.27
    22   1    -0.08  -0.06  -0.01    -0.02  -0.09   0.10    -0.01  -0.00  -0.12
    23   1    -0.23  -0.29   0.26     0.23   0.23  -0.23     0.27   0.28  -0.29
    24   1    -0.11  -0.04  -0.19    -0.11  -0.01  -0.27    -0.05  -0.06  -0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1085.1387              1100.6041              1112.1240
 Red. masses --      2.7408                 2.3049                 2.6797
 Frc consts  --      1.9015                 1.6450                 1.9527
 IR Inten    --    153.7214               166.8527                81.7796
 RamAct Fr= 1--      3.1759                 0.7527                 6.5206
  Dep-P Fr= 1--      0.4749                 0.4004                 0.7444
  Dep-U Fr= 1--      0.6439                 0.5718                 0.8535
 Alpha2 Fr= 1--      0.0176                 0.0056                 0.0006
 Beta2  Fr= 1--      0.3409                 0.0717                 0.9275
 AlphaG Fr= 1--      0.0122                -0.0045                -0.0009
 Gamma2 Fr= 1--      0.4220                 0.4929                -1.1372
 Delta2 Fr= 1--     -0.1214                -0.0135                -0.5872
 Raman1 Fr= 1--      12.704                  3.011                 26.083
 ROA1   Fr= 1--      36.626                 46.883               -127.958
 CID1   Fr= 1--       2.883                 15.572                 -4.906
 Raman2 Fr= 1--       4.090                  0.861                 11.130
 ROA2   Fr= 1--      11.098                 11.937                -22.594
 CID2   Fr= 1--       2.713                 13.867                 -2.030
 Raman3 Fr= 1--       8.181                  1.722                 22.260
 ROA3   Fr= 1--      36.626                 46.883               -127.958
 CID3   Fr= 1--       4.477                 27.232                 -5.748
 RC180  Fr= 1--       0.288                  0.144                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.03     0.07  -0.03   0.03    -0.09   0.26   0.01
     2   6     0.11   0.02  -0.09    -0.05   0.05  -0.00     0.07  -0.08   0.04
     3   6     0.13   0.05  -0.11    -0.10  -0.12  -0.06     0.10  -0.05  -0.01
     4   6     0.05   0.15   0.03    -0.09   0.09   0.05    -0.05   0.03   0.04
     5   8    -0.07  -0.08   0.02     0.09  -0.00   0.02     0.02  -0.00  -0.00
     6   6     0.04   0.04   0.04    -0.11  -0.03  -0.02     0.01   0.07  -0.01
     7   8    -0.02   0.04   0.01     0.00   0.03   0.02     0.02  -0.11  -0.08
     8   1    -0.40  -0.21   0.08     0.03   0.00   0.04    -0.12   0.29   0.01
     9   8    -0.07   0.03  -0.02     0.03  -0.01   0.01    -0.03  -0.01  -0.01
    10   1     0.08  -0.08  -0.10    -0.10   0.03   0.00     0.16  -0.35  -0.01
    11   1     0.10   0.12  -0.10    -0.18  -0.06  -0.05     0.26  -0.13  -0.04
    12   8    -0.03  -0.07   0.04     0.05   0.05  -0.04    -0.00  -0.01  -0.01
    13   6    -0.02  -0.05  -0.10     0.06  -0.09   0.05     0.03  -0.02   0.05
    14   1    -0.17   0.28   0.07    -0.31   0.30   0.09    -0.18   0.10   0.06
    15   8    -0.01  -0.02   0.02     0.02   0.02  -0.01    -0.03  -0.03   0.03
    16   1    -0.02  -0.03   0.04    -0.05  -0.08  -0.03    -0.00   0.11  -0.00
    17   1    -0.02   0.08   0.04    -0.01  -0.25  -0.16     0.03   0.14   0.09
    18   1     0.25  -0.12   0.12     0.13  -0.06   0.03    -0.38   0.16  -0.14
    19   1    -0.15  -0.18   0.15    -0.15  -0.11   0.14    -0.26  -0.22   0.20
    20   8    -0.00   0.00   0.06    -0.02   0.02  -0.07    -0.01   0.01  -0.05
    21   1    -0.06   0.07   0.18     0.13  -0.01   0.47     0.11  -0.03   0.20
    22   1     0.11   0.13  -0.27     0.17   0.10  -0.19     0.03   0.03  -0.03
    23   1     0.17   0.18  -0.18     0.01   0.02  -0.01     0.08   0.08  -0.09
    24   1     0.07   0.01   0.25     0.14   0.06   0.36     0.05   0.03   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1121.0793              1127.6325              1154.2106
 Red. masses --      3.4691                 4.2808                 3.6035
 Frc consts  --      2.5688                 3.2071                 2.8284
 IR Inten    --     49.8520                42.6963                33.6949
 RamAct Fr= 1--      8.7127                 6.3451                 2.7072
  Dep-P Fr= 1--      0.7433                 0.4632                 0.4651
  Dep-U Fr= 1--      0.8528                 0.6331                 0.6349
 Alpha2 Fr= 1--      0.0010                 0.0369                 0.0156
 Beta2  Fr= 1--      1.2383                 0.6695                 0.2865
 AlphaG Fr= 1--     -0.0063                 0.0088                 0.0053
 Gamma2 Fr= 1--      1.0565                -2.0043                 1.8336
 Delta2 Fr= 1--     -0.2701                -1.4040                 1.2671
 Raman1 Fr= 1--      34.851                 25.380                 10.829
 ROA1   Fr= 1--      92.776               -237.341                216.575
 CID1   Fr= 1--       2.662                 -9.351                 20.000
 Raman2 Fr= 1--      14.860                  8.034                  3.438
 ROA2   Fr= 1--      27.516                -36.872                 33.870
 CID2   Fr= 1--       1.852                 -4.589                  9.853
 Raman3 Fr= 1--      29.720                 16.069                  6.875
 ROA3   Fr= 1--      92.776               -237.341                216.575
 CID3   Fr= 1--       3.122                -14.771                 31.500
 RC180  Fr= 1--       0.706                  0.266                  0.270
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.10   0.00    -0.02   0.01   0.02     0.05  -0.13  -0.12
     2   6     0.25   0.00  -0.03    -0.21   0.05  -0.03    -0.06   0.01   0.01
     3   6     0.03   0.00   0.07     0.20   0.22  -0.14     0.06   0.05   0.02
     4   6    -0.12  -0.10  -0.01    -0.12  -0.02   0.05    -0.09  -0.06  -0.04
     5   8     0.08   0.08  -0.02     0.04   0.01  -0.04     0.07  -0.00  -0.01
     6   6    -0.12  -0.09   0.06    -0.05  -0.12   0.03     0.08   0.26  -0.13
     7   8    -0.02   0.02   0.01    -0.01  -0.03  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.28   0.01    -0.04   0.04   0.01    -0.00  -0.25  -0.13
     9   8    -0.13   0.04  -0.05     0.13  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.12  -0.03    -0.31   0.26   0.02    -0.04  -0.33  -0.04
    11   1     0.10   0.02   0.05     0.40   0.27  -0.16    -0.11   0.19   0.06
    12   8     0.01   0.02  -0.01    -0.08  -0.13   0.10    -0.01  -0.02   0.01
    13   6     0.05   0.02   0.14     0.05  -0.01   0.09     0.02   0.03   0.10
    14   1    -0.14  -0.10  -0.01    -0.20  -0.17   0.04    -0.45  -0.14  -0.01
    15   8     0.02   0.06  -0.03     0.04   0.07  -0.05    -0.08  -0.15   0.11
    16   1    -0.15  -0.16   0.06     0.06  -0.20   0.00     0.14   0.37  -0.12
    17   1    -0.01   0.37   0.25     0.00   0.18   0.16    -0.03   0.03   0.02
    18   1     0.19  -0.13   0.07     0.04   0.02  -0.01     0.03   0.00   0.04
    19   1    -0.01  -0.01   0.03    -0.06  -0.11   0.05     0.01  -0.00   0.01
    20   8     0.00   0.00  -0.09    -0.00   0.01  -0.06     0.00  -0.01  -0.07
    21   1     0.13  -0.09  -0.01     0.13  -0.06   0.10     0.21  -0.10   0.11
    22   1    -0.01  -0.11   0.29     0.07  -0.04   0.13    -0.02  -0.07   0.22
    23   1     0.13   0.14  -0.10    -0.13  -0.12   0.15     0.07   0.03  -0.10
    24   1    -0.04   0.02  -0.15     0.01   0.00  -0.06     0.03   0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1206.0550              1240.4314              1245.9996
 Red. masses --      1.2567                 1.2165                 1.1459
 Frc consts  --      1.0770                 1.1028                 1.0481
 IR Inten    --      5.9616                47.7260                28.3942
 RamAct Fr= 1--      2.2305                 2.2043                 2.6478
  Dep-P Fr= 1--      0.0627                 0.5989                 0.7266
  Dep-U Fr= 1--      0.1180                 0.7492                 0.8417
 Alpha2 Fr= 1--      0.0427                 0.0062                 0.0011
 Beta2  Fr= 1--      0.0439                 0.2752                 0.3714
 AlphaG Fr= 1--     -0.0074                -0.0193                 0.0066
 Gamma2 Fr= 1--     -0.1593                 0.7132                -0.0035
 Delta2 Fr= 1--     -0.0301                -0.4145                 0.2353
 Raman1 Fr= 1--       8.922                  8.817                 10.591
 ROA1   Fr= 1--     -16.255                 55.203                  7.193
 CID1   Fr= 1--      -1.822                  6.261                  0.679
 Raman2 Fr= 1--       0.527                  3.303                  4.457
 ROA2   Fr= 1--      -3.583                 20.432                 -1.966
 CID2   Fr= 1--      -6.805                  6.186                 -0.441
 Raman3 Fr= 1--       1.053                  6.605                  8.914
 ROA3   Fr= 1--     -16.255                 55.203                  7.193
 CID3   Fr= 1--     -15.436                  8.357                  0.807
 RC180  Fr= 1--      -0.764                  0.498                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.03    -0.02  -0.04   0.07     0.01   0.02   0.01
     2   6     0.03  -0.04  -0.02     0.01  -0.01  -0.03     0.02  -0.05  -0.04
     3   6    -0.05   0.02  -0.04    -0.01   0.00  -0.03    -0.02  -0.00  -0.01
     4   6    -0.02   0.01   0.06    -0.00   0.03  -0.02     0.01   0.01  -0.03
     5   8     0.02   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.01   0.02
     6   6     0.00   0.03  -0.03    -0.01   0.03  -0.04    -0.02   0.01   0.03
     7   8    -0.01   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01  -0.01
     8   1     0.45   0.05  -0.04    -0.04   0.17   0.10     0.18   0.08  -0.02
     9   8    -0.01  -0.00  -0.00     0.00  -0.02   0.01    -0.01   0.03  -0.00
    10   1     0.22   0.32   0.00     0.31   0.44  -0.02    -0.26  -0.17  -0.02
    11   1     0.27  -0.18  -0.12     0.01   0.21  -0.02    -0.11   0.19   0.02
    12   8    -0.00  -0.00   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.01  -0.03   0.04    -0.01  -0.01   0.01
    14   1     0.04  -0.30   0.03    -0.06   0.28   0.00     0.02   0.11  -0.02
    15   8    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.02  -0.01  -0.02
    16   1    -0.12   0.29   0.01     0.01   0.19  -0.03    -0.16   0.48   0.08
    17   1    -0.00   0.22   0.16     0.00  -0.18  -0.12    -0.00   0.21   0.15
    18   1    -0.15   0.06  -0.06    -0.32   0.13  -0.13     0.34  -0.14   0.14
    19   1     0.09   0.08  -0.09    -0.07  -0.07   0.07    -0.17  -0.15   0.15
    20   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.12  -0.02   0.16    -0.23   0.06  -0.19    -0.09   0.02  -0.07
    22   1    -0.10   0.08  -0.24     0.20  -0.09   0.25     0.07  -0.03   0.08
    23   1    -0.09  -0.10   0.10    -0.03  -0.04   0.03    -0.23  -0.27   0.26
    24   1     0.06   0.02   0.20    -0.09  -0.02  -0.27    -0.03  -0.01  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.0780              1259.0050              1326.4334
 Red. masses --      1.2673                 1.2026                 1.1970
 Frc consts  --      1.1687                 1.1231                 1.2408
 IR Inten    --     31.7783                15.0240                22.1333
 RamAct Fr= 1--      3.2120                 5.1282                 3.4137
  Dep-P Fr= 1--      0.7494                 0.7479                 0.2882
  Dep-U Fr= 1--      0.8567                 0.8558                 0.4474
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0363
 Beta2  Fr= 1--      0.4586                 0.7314                 0.2546
 AlphaG Fr= 1--     -0.0002                -0.0035                -0.0314
 Gamma2 Fr= 1--      0.2621                 0.3557                -0.8685
 Delta2 Fr= 1--      0.4790                -0.2989                -0.2694
 Raman1 Fr= 1--      12.848                 20.513                 13.655
 ROA1   Fr= 1--      40.488                 24.584                -91.997
 CID1   Fr= 1--       3.151                  1.198                 -6.737
 Raman2 Fr= 1--       5.504                  8.777                  3.055
 ROA2   Fr= 1--       2.457                 10.929                -18.689
 CID2   Fr= 1--       0.447                  1.245                 -6.118
 Raman3 Fr= 1--      11.007                 17.554                  6.109
 ROA3   Fr= 1--      40.488                 24.584                -91.997
 CID3   Fr= 1--       3.678                  1.400                -15.058
 RC180  Fr= 1--       0.713                  0.712                 -0.105
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.03     0.00  -0.01   0.04     0.03   0.00   0.00
     2   6    -0.01   0.03   0.07    -0.00   0.02   0.02    -0.00   0.03  -0.02
     3   6    -0.05   0.01  -0.05    -0.02   0.01  -0.00     0.00  -0.00  -0.02
     4   6    -0.03   0.06   0.01     0.04  -0.06  -0.06    -0.06  -0.06  -0.01
     5   8    -0.00  -0.02   0.01    -0.02   0.01   0.00    -0.01  -0.01   0.00
     6   6     0.01   0.00  -0.02     0.01  -0.02  -0.01    -0.05   0.02   0.05
     7   8    -0.02  -0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.00   0.00
     8   1     0.52  -0.14  -0.14     0.26   0.03   0.00    -0.07  -0.14  -0.00
     9   8    -0.00   0.00  -0.01    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    10   1     0.02  -0.21   0.04     0.11   0.07   0.02     0.22  -0.14  -0.06
    11   1     0.12  -0.05  -0.09    -0.22   0.63   0.07     0.05   0.02  -0.03
    12   8     0.01  -0.01   0.00     0.03  -0.01  -0.00    -0.01   0.00   0.01
    13   6     0.02  -0.05   0.02    -0.02   0.05  -0.03     0.02   0.01  -0.01
    14   1     0.14   0.14  -0.00     0.04  -0.03  -0.06     0.38   0.50  -0.02
    15   8    -0.01   0.00   0.01    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1     0.14  -0.28  -0.06     0.02  -0.20  -0.02     0.55   0.12  -0.02
    17   1    -0.01   0.29   0.21    -0.00   0.11   0.08    -0.00   0.08   0.06
    18   1     0.02  -0.01   0.02    -0.13   0.05  -0.05    -0.09   0.04  -0.03
    19   1    -0.08  -0.07   0.06    -0.26  -0.24   0.24     0.09   0.08  -0.08
    20   8     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.00   0.01   0.01
    21   1    -0.25   0.09  -0.16     0.21  -0.08   0.11     0.13  -0.04   0.08
    22   1     0.18  -0.04   0.09    -0.14   0.04  -0.08    -0.11   0.04  -0.15
    23   1     0.16   0.18  -0.17     0.07   0.09  -0.08    -0.14  -0.16   0.14
    24   1    -0.10  -0.02  -0.28     0.09   0.00   0.23     0.01   0.00   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.9666              1346.3991              1353.3473
 Red. masses --      1.3562                 1.2940                 1.2787
 Frc consts  --      1.4198                 1.3821                 1.3799
 IR Inten    --     38.2173                30.8310                51.4767
 RamAct Fr= 1--      3.7977                 2.7125                 1.9318
  Dep-P Fr= 1--      0.7489                 0.7348                 0.5024
  Dep-U Fr= 1--      0.8564                 0.8472                 0.6688
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0094
 Beta2  Fr= 1--      0.5420                 0.3830                 0.2153
 AlphaG Fr= 1--      0.0009                 0.0051                 0.0051
 Gamma2 Fr= 1--      1.5224                 0.1379                -0.6749
 Delta2 Fr= 1--     -0.4270                -0.5560                 0.2785
 Raman1 Fr= 1--      15.191                 10.850                  7.727
 ROA1   Fr= 1--     132.489                 -4.551                -55.882
 CID1   Fr= 1--       8.722                 -0.419                 -7.232
 Raman2 Fr= 1--       6.505                  4.596                  2.584
 ROA2   Fr= 1--      39.954                  7.758                -18.426
 CID2   Fr= 1--       6.142                  1.688                 -7.131
 Raman3 Fr= 1--      13.009                  9.192                  5.168
 ROA3   Fr= 1--     132.489                 -4.551                -55.882
 CID3   Fr= 1--      10.184                 -0.495                -10.814
 RC180  Fr= 1--       0.713                  0.694                  0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.03    -0.04  -0.02  -0.01    -0.09  -0.02  -0.05
     2   6     0.00  -0.01  -0.02    -0.04   0.10   0.00    -0.01  -0.05   0.05
     3   6    -0.02   0.05   0.08    -0.01  -0.01   0.01    -0.04   0.00   0.00
     4   6    -0.09   0.05  -0.03     0.03   0.04   0.00    -0.01  -0.04   0.01
     5   8     0.01  -0.01   0.00     0.00  -0.00  -0.02     0.00   0.01   0.00
     6   6    -0.01   0.01  -0.01    -0.01   0.01   0.07     0.00  -0.01  -0.01
     7   8     0.02   0.01   0.02     0.01   0.01   0.01     0.03   0.02   0.01
     8   1    -0.20  -0.15  -0.01     0.09  -0.04  -0.03     0.14   0.38  -0.03
     9   8     0.00   0.00   0.00     0.00  -0.01  -0.02    -0.01   0.04  -0.02
    10   1    -0.07   0.09   0.00     0.55  -0.52  -0.14     0.07  -0.06   0.04
    11   1     0.18   0.06   0.04     0.08   0.11  -0.00     0.54   0.21  -0.11
    12   8     0.03  -0.01  -0.03     0.01  -0.00   0.00     0.00  -0.00   0.02
    13   6     0.04  -0.05   0.00    -0.01  -0.02   0.01    -0.00   0.03  -0.02
    14   1     0.49  -0.38  -0.12    -0.18  -0.31  -0.00     0.09   0.19   0.01
    15   8    -0.00  -0.00   0.01     0.02  -0.00  -0.04    -0.01   0.00   0.01
    16   1     0.06   0.10  -0.02    -0.11  -0.07   0.08     0.05   0.00  -0.01
    17   1     0.01  -0.22  -0.14     0.00  -0.17  -0.12     0.01  -0.33  -0.22
    18   1     0.01  -0.01   0.00    -0.08   0.03  -0.03     0.38  -0.15   0.14
    19   1    -0.29  -0.26   0.25    -0.02  -0.02   0.02     0.02   0.02  -0.02
    20   8     0.01   0.02   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    21   1    -0.03   0.02   0.07    -0.06   0.02   0.01     0.07  -0.03  -0.02
    22   1    -0.08   0.08  -0.27     0.02   0.00   0.00     0.05  -0.04   0.10
    23   1     0.02   0.02  -0.02    -0.20  -0.23   0.21     0.07   0.08  -0.07
    24   1    -0.08  -0.01  -0.22    -0.02  -0.00  -0.07     0.05   0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3787              1383.6440              1393.5615
 Red. masses --      1.2035                 1.2568                 1.3646
 Frc consts  --      1.3220                 1.4176                 1.5613
 IR Inten    --      2.8207                14.8089                 5.8365
 RamAct Fr= 1--      0.5360                 1.6398                 3.8937
  Dep-P Fr= 1--      0.6122                 0.7140                 0.6179
  Dep-U Fr= 1--      0.7595                 0.8331                 0.7638
 Alpha2 Fr= 1--      0.0014                 0.0010                 0.0094
 Beta2  Fr= 1--      0.0678                 0.2277                 0.4957
 AlphaG Fr= 1--      0.0015                -0.0101                -0.0166
 Gamma2 Fr= 1--      0.0704                 0.3441                 0.5599
 Delta2 Fr= 1--     -0.1189                 0.8236                 0.0661
 Raman1 Fr= 1--       2.144                  6.559                 15.575
 ROA1   Fr= 1--       2.954                 59.387                 55.870
 CID1   Fr= 1--       1.378                  9.054                  3.587
 Raman2 Fr= 1--       0.814                  2.732                  5.948
 ROA2   Fr= 1--       2.641                  1.670                 12.909
 CID2   Fr= 1--       3.244                  0.611                  2.170
 Raman3 Fr= 1--       1.628                  5.465                 11.897
 ROA3   Fr= 1--       2.954                 59.387                 55.870
 CID3   Fr= 1--       1.814                 10.868                  4.696
 RC180  Fr= 1--       0.519                  0.666                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02   0.01   0.01    -0.01   0.06  -0.01
     2   6    -0.02  -0.04   0.05    -0.01  -0.02   0.00     0.03  -0.04  -0.01
     3   6     0.06  -0.00   0.00    -0.03   0.05   0.02    -0.05  -0.04   0.00
     4   6     0.00   0.03  -0.01     0.02   0.04   0.03     0.11   0.01  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.00  -0.02    -0.01   0.01  -0.03
     6   6    -0.03  -0.00   0.00    -0.05   0.00   0.02    -0.07  -0.00   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
     8   1     0.02   0.56   0.11    -0.05  -0.07   0.01     0.02  -0.36  -0.08
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   1     0.21   0.05   0.04     0.11   0.07  -0.00    -0.18   0.15   0.03
    11   1    -0.38  -0.08   0.09    -0.06  -0.27   0.02     0.31   0.24  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.02    -0.04   0.05  -0.06    -0.02  -0.02   0.03
    14   1    -0.10  -0.23  -0.02     0.08  -0.23   0.00    -0.47  -0.18   0.04
    15   8    -0.00   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.43   0.01  -0.06     0.40   0.03  -0.05     0.53   0.08  -0.07
    17   1    -0.00   0.07   0.05    -0.00   0.01   0.02     0.00  -0.05  -0.03
    18   1     0.24  -0.10   0.09     0.05  -0.02   0.02     0.01  -0.01   0.00
    19   1     0.03   0.02  -0.02    -0.18  -0.16   0.15     0.02   0.02  -0.02
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.04   0.02   0.08     0.10  -0.05  -0.09    -0.10   0.04   0.03
    22   1    -0.12   0.07  -0.19     0.41  -0.14   0.47    -0.14   0.04  -0.11
    23   1     0.04   0.05  -0.05    -0.03  -0.02   0.02    -0.01  -0.00   0.00
    24   1    -0.06  -0.01  -0.21     0.11   0.01   0.34    -0.03  -0.01  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.0455              1428.6032              1441.0602
 Red. masses --      1.5130                 1.4409                 1.4062
 Frc consts  --      1.8027                 1.7326                 1.7206
 IR Inten    --     24.0902                19.8737                 2.0020
 RamAct Fr= 1--      4.7680                 4.8704                 2.6172
  Dep-P Fr= 1--      0.6967                 0.4434                 0.4535
  Dep-U Fr= 1--      0.8212                 0.6144                 0.6240
 Alpha2 Fr= 1--      0.0044                 0.0306                 0.0158
 Beta2  Fr= 1--      0.6526                 0.4987                 0.2722
 AlphaG Fr= 1--     -0.0014                 0.0294                -0.0097
 Gamma2 Fr= 1--      0.2741                -0.2325                -0.1605
 Delta2 Fr= 1--     -0.3051                 0.4963                -0.2791
 Raman1 Fr= 1--      19.072                 19.482                 10.469
 ROA1   Fr= 1--      16.546                 -6.435                -24.341
 CID1   Fr= 1--       0.868                 -0.330                 -2.325
 Raman2 Fr= 1--       7.831                  5.985                  3.266
 ROA2   Fr= 1--       9.018                 -9.549                 -1.620
 CID2   Fr= 1--       1.152                 -1.596                 -0.496
 Raman3 Fr= 1--      15.662                 11.970                  6.532
 ROA3   Fr= 1--      16.546                 -6.435                -24.341
 CID3   Fr= 1--       1.056                 -0.538                 -3.726
 RC180  Fr= 1--       0.642                  0.229                  0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.02  -0.01     0.08   0.02  -0.00     0.08  -0.08  -0.03
     2   6    -0.09  -0.06   0.01    -0.05  -0.05   0.01     0.06   0.07   0.00
     3   6    -0.07   0.04   0.02    -0.06   0.02   0.01    -0.07  -0.03   0.02
     4   6     0.03  -0.02  -0.02     0.05  -0.04   0.01     0.00   0.03   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03   0.00     0.03   0.03   0.00    -0.01   0.01   0.01
     7   8    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
     8   1    -0.34  -0.01   0.07    -0.20  -0.03   0.04    -0.32   0.54   0.14
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   1     0.40   0.12  -0.02     0.23   0.11  -0.00    -0.36  -0.19   0.01
    11   1     0.20  -0.07  -0.04     0.17  -0.08  -0.04     0.34   0.20  -0.06
    12   8     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.01
    13   6     0.08   0.00   0.05    -0.11  -0.02  -0.03    -0.00  -0.00  -0.01
    14   1    -0.15   0.09   0.01    -0.06   0.11   0.04     0.01  -0.13  -0.01
    15   8     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    16   1    -0.13  -0.12   0.01    -0.18  -0.16   0.02     0.08  -0.08  -0.01
    17   1    -0.01   0.20   0.14    -0.00   0.13   0.09    -0.01   0.24   0.16
    18   1     0.17  -0.07   0.07     0.12  -0.05   0.05    -0.26   0.11  -0.09
    19   1    -0.10  -0.09   0.09    -0.05  -0.05   0.05     0.03   0.03  -0.02
    20   8    -0.03  -0.02  -0.00     0.04   0.03   0.01    -0.00  -0.00  -0.00
    21   1    -0.29   0.15  -0.36     0.34  -0.19   0.50    -0.01   0.01   0.00
    22   1    -0.27   0.02  -0.17     0.20   0.02   0.07     0.07  -0.02   0.07
    23   1    -0.01  -0.01   0.01    -0.01  -0.02   0.02    -0.05  -0.06   0.04
    24   1     0.09  -0.00   0.28    -0.15   0.00  -0.47     0.01  -0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1446.8126              1462.0526              1498.4877
 Red. masses --      1.6632                 1.6558                 1.0825
 Frc consts  --      2.0513                 2.0854                 1.4321
 IR Inten    --     21.3822                 5.8911                 5.2900
 RamAct Fr= 1--      2.7658                 4.5703                 6.2751
  Dep-P Fr= 1--      0.6873                 0.6554                 0.6825
  Dep-U Fr= 1--      0.8146                 0.7918                 0.8113
 Alpha2 Fr= 1--      0.0030                 0.0077                 0.0075
 Beta2  Fr= 1--      0.3755                 0.6032                 0.8485
 AlphaG Fr= 1--      0.0233                -0.0298                 0.0131
 Gamma2 Fr= 1--      0.3888                -0.2840                -0.2705
 Delta2 Fr= 1--     -0.4962                 0.7709                -0.4394
 Raman1 Fr= 1--      11.063                 18.281                 25.100
 ROA1   Fr= 1--      21.450                 -2.599                -40.025
 CID1   Fr= 1--       1.939                 -0.142                 -1.595
 Raman2 Fr= 1--       4.506                  7.238                 10.182
 ROA2   Fr= 1--      13.301                -12.984                 -2.975
 CID2   Fr= 1--       2.952                 -1.794                 -0.292
 Raman3 Fr= 1--       9.013                 14.476                 20.364
 ROA3   Fr= 1--      21.450                 -2.599                -40.025
 CID3   Fr= 1--       2.380                 -0.180                 -1.966
 RC180  Fr= 1--       0.629                  0.584                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00     0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.05  -0.05   0.00    -0.05   0.09   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.16  -0.02    -0.02   0.02   0.01    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.02   0.00     0.01  -0.01  -0.00
     5   8     0.01  -0.01   0.00    -0.01   0.03  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.17  -0.18   0.01    -0.10  -0.01   0.02     0.01   0.00  -0.00
     9   8    -0.00   0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1     0.23   0.10  -0.01     0.18  -0.23  -0.06    -0.00  -0.00  -0.00
    11   1    -0.00   0.56   0.01     0.06  -0.06  -0.02    -0.01  -0.03   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.26  -0.30  -0.05    -0.07   0.04   0.02     0.03   0.02  -0.01
    15   8    -0.01   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.05   0.09   0.00     0.02   0.77   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.15   0.09    -0.00   0.06   0.04     0.00  -0.01  -0.00
    18   1     0.14  -0.05   0.05    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1     0.27   0.25  -0.23    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1     0.00   0.02   0.02     0.04  -0.02   0.04    -0.27   0.41   0.53
    22   1     0.18  -0.08   0.19    -0.01   0.01  -0.01    -0.42  -0.42   0.35
    23   1     0.05   0.06  -0.05     0.25   0.30  -0.26    -0.00  -0.00   0.00
    24   1     0.02  -0.00   0.06    -0.01   0.00  -0.04     0.00   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2950.5863              2980.0899              2985.5961
 Red. masses --      1.0826                 1.0814                 1.0798
 Frc consts  --      5.5529                 5.6584                 5.6707
 IR Inten    --     33.2767                 5.7454                27.9298
 RamAct Fr= 1--     66.7813                24.1333               182.0203
  Dep-P Fr= 1--      0.1822                 0.0677                 0.2837
  Dep-U Fr= 1--      0.3083                 0.1269                 0.4420
 Alpha2 Fr= 1--      0.9503                 0.4569                 1.9591
 Beta2  Fr= 1--      3.4312                 0.5103                13.4090
 AlphaG Fr= 1--     -1.1621                -0.4286                 0.3348
 Gamma2 Fr= 1--     -7.0439                -2.2578                19.9834
 Delta2 Fr= 1--     -0.2576                -2.6548                17.6866
 Raman1 Fr= 1--     267.125                 96.533                728.081
 ROA1   Fr= 1--    -684.454               -301.705               2484.380
 CID1   Fr= 1--      -2.562                 -3.125                  3.412
 Raman2 Fr= 1--      41.174                  6.123                160.908
 ROA2   Fr= 1--    -166.993                -32.950                338.110
 CID2   Fr= 1--      -4.056                 -5.381                  2.101
 Raman3 Fr= 1--      82.349                 12.246                321.815
 ROA3   Fr= 1--    -684.454               -301.705               2484.380
 CID3   Fr= 1--      -8.312                -24.637                  7.720
 RC180  Fr= 1--      -0.383                 -0.746                 -0.116
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.06    -0.01   0.01  -0.05
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
     4   6     0.00   0.00   0.00     0.01  -0.00   0.05    -0.01   0.00  -0.06
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00   0.00  -0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14     0.14  -0.11   0.73     0.11  -0.09   0.57
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.01   0.01  -0.09    -0.02   0.02  -0.14    -0.02   0.02  -0.13
    11   1     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.04   0.01  -0.21
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.05    -0.06   0.05  -0.60     0.07  -0.06   0.69
    15   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.97     0.00  -0.00   0.06     0.02  -0.01   0.12
    17   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.01     0.03   0.06  -0.02
    22   1    -0.00   0.01   0.00    -0.05   0.15   0.09     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4227              3018.0293              3032.1531
 Red. masses --      1.0737                 1.0838                 1.0849
 Frc consts  --      5.7139                 5.8165                 5.8768
 IR Inten    --     75.5388                11.5714                63.4932
 RamAct Fr= 1--    233.1886                11.4477                44.4306
  Dep-P Fr= 1--      0.1014                 0.2591                 0.1571
  Dep-U Fr= 1--      0.1841                 0.4116                 0.2715
 Alpha2 Fr= 1--      4.0690                 0.1322                 0.6746
 Beta2  Fr= 1--      7.1546                 0.7853                 2.0107
 AlphaG Fr= 1--      0.7755                 0.1929                -0.0391
 Gamma2 Fr= 1--     -9.3511                -1.7022                 1.8873
 Delta2 Fr= 1--    -12.7094                -2.6471                 0.2863
 Raman1 Fr= 1--     932.754                 45.791                177.722
 ROA1   Fr= 1--   -1304.404               -248.118                190.341
 CID1   Fr= 1--      -1.398                 -5.419                  1.071
 Raman2 Fr= 1--      85.855                  9.424                 24.128
 ROA2   Fr= 1--    -122.751                -19.675                 43.004
 CID2   Fr= 1--      -1.430                 -2.088                  1.782
 Raman3 Fr= 1--     171.710                 18.848                 48.257
 ROA3   Fr= 1--   -1304.404               -248.118                190.341
 CID3   Fr= 1--      -7.597                -13.164                  3.944
 RC180  Fr= 1--      -0.632                 -0.177                 -0.457
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.04
     3   6     0.00   0.00   0.01     0.01  -0.00   0.04    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.03     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.01
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.01   0.03     0.01  -0.02   0.08     0.04  -0.03   0.21
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.00   0.00  -0.02     0.10  -0.11   0.86     0.05  -0.06   0.42
    11   1    -0.02   0.01  -0.09    -0.09   0.02  -0.44     0.18  -0.03   0.84
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.03   0.33    -0.01   0.00  -0.07     0.01  -0.01   0.16
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.02     0.01  -0.00   0.09     0.01  -0.00   0.06
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.09  -0.15   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.74   0.48     0.00  -0.01  -0.00    -0.01   0.02   0.01
    23   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.0083              3778.8962              3787.5715
 Red. masses --      1.0926                 1.0655                 1.0659
 Frc consts  --      6.2506                 8.9645                 9.0095
 IR Inten    --      9.6591                31.6783                44.1527
 RamAct Fr= 1--     79.0533                46.7388                67.1252
  Dep-P Fr= 1--      0.3534                 0.0979                 0.2330
  Dep-U Fr= 1--      0.5222                 0.1784                 0.3780
 Alpha2 Fr= 1--      0.6864                 0.8225                 0.8338
 Beta2  Fr= 1--      6.8805                 1.3895                 4.2289
 AlphaG Fr= 1--     -0.0897                -0.2712                -0.4415
 Gamma2 Fr= 1--      2.6861                -2.1170                -8.3498
 Delta2 Fr= 1--      0.3387                 0.1351                -0.4321
 Raman1 Fr= 1--     316.213                186.955                268.501
 ROA1   Fr= 1--     268.701               -198.908               -815.406
 CID1   Fr= 1--       0.850                 -1.064                 -3.037
 Raman2 Fr= 1--      82.566                 16.674                 50.747
 ROA2   Fr= 1--      61.756                -51.889               -196.937
 CID2   Fr= 1--       0.748                 -3.112                 -3.881
 Raman3 Fr= 1--     165.133                 33.348                101.493
 ROA3   Fr= 1--     268.701               -198.908               -815.406
 CID3   Fr= 1--       1.627                 -5.965                 -8.034
 RC180  Fr= 1--       0.044                 -0.643                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.17  -0.02   0.01
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.57   0.77  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.13   0.09    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.02   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3789.3946              3794.9103              3797.2167
 Red. masses --      1.0659                 1.0660                 1.0660
 Frc consts  --      9.0177                 9.0447                 9.0556
 IR Inten    --     59.1007                42.0883                62.4870
 RamAct Fr= 1--    112.0386                76.9313               192.4296
  Dep-P Fr= 1--      0.1657                 0.3487                 0.1608
  Dep-U Fr= 1--      0.2843                 0.5171                 0.2771
 Alpha2 Fr= 1--      1.6639                 0.6782                 2.8939
 Beta2  Fr= 1--      5.3088                 6.6306                 8.8861
 AlphaG Fr= 1--      0.5077                -0.4801                 1.2893
 Gamma2 Fr= 1--      9.4493               -19.9828                21.6271
 Delta2 Fr= 1--      1.0010                -7.1124                 7.3446
 Raman1 Fr= 1--     448.154                307.725                769.718
 ROA1   Fr= 1--     939.161              -2145.948               2311.228
 CID1   Fr= 1--       2.096                 -6.974                  3.003
 Raman2 Fr= 1--      63.706                 79.567                106.633
 ROA2   Fr= 1--     218.775               -422.689                460.293
 CID2   Fr= 1--       3.434                 -5.312                  4.317
 Raman3 Fr= 1--     127.412                159.134                213.265
 ROA3   Fr= 1--     939.161              -2145.948               2311.228
 CID3   Fr= 1--       7.371                -13.485                 10.837
 RC180  Fr= 1--      -0.431                  0.034                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.01  -0.01   0.01
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   8    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.97  -0.09   0.07     0.07  -0.01   0.01     0.01  -0.00   0.00
    18   1    -0.04  -0.06   0.02     0.49   0.76  -0.29     0.15   0.24  -0.09
    19   1     0.07  -0.15  -0.06    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.01   0.01     0.08  -0.24  -0.15    -0.26   0.77   0.49
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     516772.4 (Joules/Mol)
                                  123.51156 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.16   132.30   170.74   202.28   332.83
          (Kelvin)            347.77   364.26   384.48   410.92   431.66
                              480.43   529.00   548.02   554.41   584.99
                              605.18   614.75   655.61   744.67   817.07
                              853.52   907.17  1034.89  1309.83  1327.23
                             1459.46  1473.01  1495.11  1531.74  1546.74
                             1561.27  1583.52  1600.10  1612.98  1622.41
                             1660.65  1735.24  1784.70  1792.72  1800.02
                             1811.43  1908.44  1917.84  1937.17  1947.16
                             1964.48  1990.76  2005.02  2046.01  2055.44
                             2073.36  2081.64  2103.57  2155.99  4245.24
                             4287.68  4295.61  4324.13  4342.27  4362.59
                             4483.24  5436.99  5449.47  5452.09  5460.03
                             5463.35
 
 Zero-point correction=                           0.196828 (Hartree/Particle)
 Thermal correction to Energy=                    0.209257
 Thermal correction to Enthalpy=                  0.210202
 Thermal correction to Gibbs Free Energy=         0.159173
 Sum of electronic and zero-point Energies=           -687.313648
 Sum of electronic and thermal Energies=              -687.301219
 Sum of electronic and thermal Enthalpies=            -687.300275
 Sum of electronic and thermal Free Energies=         -687.351304
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.311             47.599            107.399
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.534             41.637             35.108
 Vibration     1          0.598              1.968              4.125
 Vibration     2          0.602              1.955              3.618
 Vibration     3          0.609              1.934              3.122
 Vibration     4          0.615              1.913              2.796
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.658              1.776              1.790
 Vibration     7          0.664              1.757              1.708
 Vibration     8          0.672              1.733              1.614
 Vibration     9          0.683              1.700              1.500
 Vibration    10          0.693              1.674              1.417
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.740              1.539              1.089
 Vibration    13          0.751              1.511              1.036
 Vibration    14          0.754              1.501              1.018
 Vibration    15          0.771              1.456              0.939
 Vibration    16          0.783              1.425              0.890
 Vibration    17          0.789              1.411              0.868
 Vibration    18          0.814              1.348              0.779
 Vibration    19          0.873              1.211              0.616
 Vibration    20          0.924              1.101              0.508
 Vibration    21          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610517D-73        -73.214302       -168.582161
 Total V=0       0.209075D+18         17.320303         39.881472
 Vib (Bot)       0.529663D-87        -87.276000       -200.960417
 Vib (Bot)    1  0.290413D+01          0.463017          1.066135
 Vib (Bot)    2  0.223513D+01          0.349303          0.804301
 Vib (Bot)    3  0.172254D+01          0.236169          0.543800
 Vib (Bot)    4  0.144603D+01          0.160176          0.368818
 Vib (Bot)    5  0.850913D+00         -0.070115         -0.161445
 Vib (Bot)    6  0.810569D+00         -0.091210         -0.210019
 Vib (Bot)    7  0.769738D+00         -0.113657         -0.261705
 Vib (Bot)    8  0.724230D+00         -0.140124         -0.322647
 Vib (Bot)    9  0.671164D+00         -0.173171         -0.398741
 Vib (Bot)   10  0.633872D+00         -0.197998         -0.455908
 Vib (Bot)   11  0.558214D+00         -0.253199         -0.583012
 Vib (Bot)   12  0.495954D+00         -0.304559         -0.701272
 Vib (Bot)   13  0.474394D+00         -0.323861         -0.745717
 Vib (Bot)   14  0.467460D+00         -0.330255         -0.760441
 Vib (Bot)   15  0.436244D+00         -0.360270         -0.829553
 Vib (Bot)   16  0.417253D+00         -0.379601         -0.874063
 Vib (Bot)   17  0.408662D+00         -0.388635         -0.894866
 Vib (Bot)   18  0.374603D+00         -0.426429         -0.981890
 Vib (Bot)   19  0.312561D+00         -0.505065         -1.162956
 Vib (Bot)   20  0.271577D+00         -0.566107         -1.303509
 Vib (Bot)   21  0.253457D+00         -0.596095         -1.372560
 Vib (V=0)       0.181387D+04          3.258605          7.503216
 Vib (V=0)    1  0.344686D+01          0.537424          1.237464
 Vib (V=0)    2  0.279038D+01          0.445663          1.026176
 Vib (V=0)    3  0.229364D+01          0.360525          0.830140
 Vib (V=0)    4  0.203003D+01          0.307502          0.708050
 Vib (V=0)    5  0.148694D+01          0.172294          0.396721
 Vib (V=0)    6  0.145238D+01          0.162079          0.373202
 Vib (V=0)    7  0.141788D+01          0.151638          0.349160
 Vib (V=0)    8  0.138006D+01          0.139899          0.322128
 Vib (V=0)    9  0.133694D+01          0.126111          0.290380
 Vib (V=0)   10  0.130734D+01          0.116388          0.267993
 Vib (V=0)   11  0.124940D+01          0.096702          0.222665
 Vib (V=0)   12  0.120425D+01          0.080717          0.185858
 Vib (V=0)   13  0.118924D+01          0.075269          0.173313
 Vib (V=0)   14  0.118448D+01          0.073529          0.169308
 Vib (V=0)   15  0.116356D+01          0.065788          0.151482
 Vib (V=0)   16  0.115123D+01          0.061162          0.140831
 Vib (V=0)   17  0.114576D+01          0.059093          0.136067
 Vib (V=0)   18  0.112476D+01          0.051060          0.117571
 Vib (V=0)   19  0.108966D+01          0.037289          0.085862
 Vib (V=0)   20  0.106899D+01          0.028975          0.066718
 Vib (V=0)   21  0.106057D+01          0.025540          0.058808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  77777                     1000999                                    44444433333332222211111000000 99    7655544443333322222 11    
  99887                     1310885                                    96442298654325544052210876321 21    1396152208863086543 4197  
  75989                     6285601                                    82719244536369160648121555944 20    9138867175184067321 1921  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX    XXXXXXXXXXXXXXXXXXX XXXX  
  XXXXX                      X XX X                                      X XX X XXXXXXXX XXXXXXXXXXX  X     XX XXXXXXXXX X   X       
  XXXXX                      X XX X                                      X  X   XXXX XXX XXXXXXX XXX  X     XX X  XXXXXX X           
  XXXXX                      X X  X                                             XXX  X X XXXXXXX XXX  X     X  X  XXXXXX X           
  XXXX                       X X                                                X X    X  XXXXXX  XX              XXXXX  X           
  X X                        X X                                                X      X   XXXXX  XX              XXXXX  X           
  X X                        X X                                                            XXXX   X               XXXX  X           
                             X X                                                            XXXX   X               XXXX  X           
                               X                                                            XXXX   X               XX X              
                                                                                            XXXX   X               XX X              
                                                                                             XXX   X               XX X              
                                                                                             XXX   X               XX                
                                                                                             XXX                   XX                
                                                                                             XXX                   XX                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                                     
                                                                                             X                                       
                                                                                             X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000427   -0.000005974    0.000000246
      2        6           0.000001435    0.000003347    0.000001922
      3        6          -0.000002315   -0.000004778    0.000000377
      4        6          -0.000007077   -0.000005660    0.000000684
      5        8          -0.000003232    0.000004797    0.000002187
      6        6           0.000003325   -0.000001816    0.000002587
      7        8          -0.000000317    0.000006191    0.000000845
      8        1           0.000000967    0.000000416   -0.000000981
      9        8          -0.000001308    0.000004477   -0.000001316
     10        1          -0.000000313   -0.000000594   -0.000000112
     11        1          -0.000000451    0.000000481   -0.000000593
     12        8           0.000000582    0.000003043   -0.000001642
     13        6           0.000001067   -0.000003272    0.000006309
     14        1           0.000002480    0.000001814   -0.000001785
     15        8           0.000001273   -0.000002177   -0.000002997
     16        1           0.000000990   -0.000000729   -0.000000884
     17        1          -0.000001005   -0.000000969   -0.000000086
     18        1           0.000003652   -0.000000538   -0.000000953
     19        1           0.000001521   -0.000000267    0.000001483
     20        8          -0.000003878    0.000005937   -0.000003553
     21        1           0.000000870   -0.000000787    0.000003993
     22        1          -0.000002182   -0.000000231   -0.000000667
     23        1           0.000000034   -0.000002845   -0.000000498
     24        1           0.000004310    0.000000136   -0.000004564
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007077 RMS     0.000002732
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113169D+03  0.122054D+01 -0.182912D+01
      2   0.122054D+01  0.106023D+03  0.219935D+00
      3  -0.182912D+01  0.219935D+00  0.889215D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.189632D+01 -0.872412D+01 -0.130228D+01
      2   0.126365D+02 -0.346247D+01  0.146501D+02
      3   0.252305D+01 -0.748512D+01  0.171711D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.191888D+02 -0.138475D+02  0.136317D+02
      2  -0.226747D+02  0.112235D+02  0.988067D+01
      3   0.348594D+01  0.262395D+01 -0.235123D+02
      4  -0.159842D+02 -0.116349D+02 -0.112745D+02
      5  -0.989647D+01 -0.102494D+02  0.291539D+02
      6  -0.837659D+01 -0.118643D+02 -0.637192D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.394634D+01  0.347413D+00  0.164366D+00 -0.316771D+00  0.290625D+01
      2   0.347413D+00  0.367816D+01  0.277804D+00  0.290625D+01 -0.132016D+01
      3   0.164366D+00  0.277804D+00  0.101635D+01  0.582138D+00 -0.142728D+01
                 6             7             8             9            10 
      1   0.582138D+00 -0.416857D+00  0.516711D+00  0.142947D+01  0.485895D+01
      2  -0.142728D+01  0.516711D+00 -0.299098D+01 -0.138208D+01 -0.805540D+00
      3  -0.278277D+00  0.142947D+01 -0.138208D+01  0.844558D+01 -0.224226D-01
                11            12            13            14            15 
      1  -0.805540D+00 -0.224226D-01 -0.944075D+00 -0.280510D+01 -0.185934D+00
      2  -0.298396D+01 -0.145718D+00 -0.280510D+01 -0.626156D+00  0.827088D+00
      3  -0.145718D+00 -0.302094D+01 -0.185934D+00  0.827088D+00  0.187451D+01
                16            17            18            19            20 
      1   0.110096D+01 -0.395586D+00 -0.175006D+01  0.325522D+01 -0.273498D+00
      2  -0.395586D+00  0.197748D+01  0.100290D+01 -0.273498D+00 -0.294674D+01
      3  -0.175006D+01  0.100290D+01 -0.803230D+01 -0.380720D-01  0.489370D+00
                21            22            23            24            25 
      1  -0.380720D-01 -0.686527D+00 -0.399701D+01  0.197324D+00  0.780032D+00
      2   0.489370D+00 -0.399701D+01  0.911598D+00  0.158458D+01  0.680555D+00
      3  -0.938190D+00  0.197324D+00  0.158458D+01  0.169632D+01 -0.160127D+01
                26            27            28            29            30 
      1   0.680555D+00 -0.160127D+01 -0.163024D+01  0.241786D+01 -0.451115D+00
      2   0.246310D+01  0.121035D+01  0.241786D+01  0.287852D+01 -0.205694D+00
      3   0.121035D+01 -0.771772D+01 -0.451115D+00 -0.205694D+00  0.355896D+00
                31            32            33            34            35 
      1   0.246746D+01  0.407648D+01  0.924800D+00 -0.230546D+01  0.497901D+00
      2   0.407648D+01 -0.128480D+01 -0.185254D+01  0.497901D+00 -0.262213D+01
      3   0.924800D+00 -0.185254D+01 -0.194382D+01  0.503537D+00 -0.780318D+00
                36            37            38            39            40 
      1   0.503537D+00  0.553205D+01 -0.193466D+01 -0.277391D+00 -0.336840D+01
      2  -0.780318D+00 -0.193466D+01 -0.251531D+00 -0.287825D+00 -0.111875D+01
      3   0.753860D+01 -0.277391D+00 -0.287825D+00 -0.539599D+00 -0.336809D+00
                41            42            43            44            45 
      1  -0.111875D+01 -0.336809D+00  0.233946D+01  0.520225D+00  0.127587D+00
      2  -0.344370D+01  0.729633D+00  0.520225D+00  0.150147D+01 -0.320107D+00
      3   0.729633D+00  0.102306D+01  0.127587D+00 -0.320107D+00 -0.126064D+01
                46            47            48            49            50 
      1  -0.539808D+01 -0.507760D+00  0.272323D+00  0.127633D+01  0.270213D+01
      2  -0.507760D+00  0.975978D+00  0.498442D+00  0.270213D+01 -0.128179D+01
      3   0.272323D+00  0.498442D+00  0.168077D+01 -0.263005D+00 -0.119711D+01
                51            52            53            54            55 
      1  -0.263005D+00 -0.943780D+00 -0.829933D-01  0.178446D+01  0.559627D+01
      2  -0.119711D+01 -0.829933D-01 -0.210759D+01 -0.935637D+00 -0.415802D+00
      3  -0.268430D+01  0.178446D+01 -0.935637D+00  0.808325D+01  0.327109D+00
                56            57            58            59            60 
      1  -0.415802D+00  0.327109D+00  0.783375D+00 -0.143009D+01 -0.397043D+00
      2   0.704931D+00  0.302166D+00 -0.143009D+01  0.669427D+01  0.183741D+01
      3   0.302166D+00  0.625136D+00 -0.397043D+00  0.183741D+01  0.152541D+00
                61            62            63            64            65 
      1   0.131204D+01 -0.901174D+00 -0.667478D+00 -0.109310D+00  0.722652D-01
      2  -0.901174D+00  0.307345D+01  0.186952D+01  0.722652D-01 -0.926707D+00
      3  -0.667478D+00  0.186952D+01  0.469335D+00 -0.112309D+01  0.118718D+00
                66            67            68            69            70 
      1  -0.112309D+01  0.229705D+00 -0.741230D+00  0.115053D+00 -0.197647D+01
      2   0.118718D+00 -0.741230D+00  0.758223D+00 -0.103967D+01  0.332560D+00
      3  -0.849737D+00  0.115053D+00 -0.103967D+01  0.720470D+00 -0.100091D+01
                71            72            73            74            75 
      1   0.332560D+00 -0.100091D+01 -0.657477D+01  0.256724D+01 -0.214414D+00
      2  -0.176023D+01  0.103472D+01  0.256724D+01  0.109900D+01 -0.571330D+00
      3   0.103472D+01 -0.731606D+01 -0.214414D+00 -0.571330D+00  0.104914D+01
                76            77            78            79            80 
      1   0.549942D+01  0.728013D+00 -0.682151D+00 -0.277506D+01 -0.663342D+00
      2   0.728013D+00  0.366320D+01 -0.924375D+00 -0.663342D+00 -0.139287D+01
      3  -0.682151D+00 -0.924375D+00  0.681774D+00 -0.666048D+00  0.383517D+00
                81            82            83            84            85 
      1  -0.666048D+00 -0.689894D-01  0.413743D-01  0.111976D+01 -0.176781D+00
      2   0.383517D+00  0.413743D-01  0.626771D+00 -0.162103D-01  0.582673D+00
      3   0.158528D+00  0.111976D+01 -0.162103D-01  0.853054D+00 -0.489842D-01
                86            87            88            89            90 
      1   0.582673D+00 -0.489842D-01  0.195282D+01  0.106935D+00  0.151018D+00
      2  -0.437663D+00  0.890982D+00  0.106935D+00  0.150167D+01 -0.658209D+00
      3   0.890982D+00 -0.995213D+00  0.151018D+00 -0.658209D+00  0.783320D+01
                91            92            93            94            95 
      1   0.475574D+00 -0.271352D+00  0.112981D+01 -0.495790D-01  0.100621D+01
      2  -0.271352D+00  0.102701D+01  0.122563D-01  0.100621D+01 -0.317947D+00
      3   0.112981D+01  0.122563D-01  0.729597D+00  0.586089D-01  0.837003D+00
                96            97            98            99           100 
      1   0.586089D-01  0.217067D+01 -0.257422D+00  0.119383D+01  0.388565D+01
      2   0.837003D+00 -0.257422D+00  0.171763D+01 -0.918569D-01  0.193243D+01
      3  -0.832342D-01  0.119383D+01 -0.918569D-01  0.690261D+01 -0.114170D+01
               101           102           103           104           105 
      1   0.193243D+01 -0.114170D+01  0.810305D+00  0.351516D+01 -0.119375D+00
      2   0.445712D+01 -0.143007D+00  0.351516D+01 -0.123586D+01 -0.180402D+01
      3  -0.143007D+00  0.647087D+00 -0.119375D+00 -0.180402D+01 -0.104806D+01
               106           107           108           109           110 
      1  -0.172510D+01 -0.730327D+00  0.140741D+01  0.281259D+01 -0.227043D+01
      2  -0.730327D+00 -0.376925D+01  0.681740D+00 -0.227043D+01 -0.234930D+01
      3   0.140741D+01  0.681740D+00 -0.382861D+00  0.158021D+01 -0.224534D+00
               111           112           113           114           115 
      1   0.158021D+01 -0.172771D+01 -0.450871D+01 -0.773383D+00  0.312597D+01
      2  -0.224534D+00 -0.450871D+01  0.113298D+01  0.400539D+01 -0.101047D+01
      3  -0.601062D+00 -0.773383D+00  0.400539D+01  0.226249D+01 -0.355721D+01
               116           117           118           119           120 
      1  -0.101047D+01 -0.355721D+01  0.393946D+00 -0.148319D+00 -0.143438D+01
      2   0.406338D+01  0.291768D+01 -0.148319D+00 -0.445424D+00  0.827478D-01
      3   0.291768D+01 -0.481006D+00 -0.143438D+01  0.827478D-01 -0.182546D+00
               121           122           123           124           125 
      1  -0.138826D+00 -0.424568D+00 -0.239542D+00 -0.198732D+01 -0.286786D+00
      2  -0.424568D+00  0.609214D+00 -0.106339D+01 -0.286786D+00 -0.132284D+01
      3  -0.239542D+00 -0.106339D+01  0.526540D+00  0.540743D+00  0.425541D+00
               126           127           128           129           130 
      1   0.540743D+00 -0.250150D+01 -0.197169D+01  0.921052D+00 -0.154722D+01
      2   0.425541D+00 -0.197169D+01 -0.353879D+01 -0.141472D+00 -0.252414D+01
      3  -0.866160D+01  0.921052D+00 -0.141472D+00 -0.341844D+00 -0.432214D-01
               131           132           133           134           135 
      1  -0.252414D+01 -0.432214D-01  0.209398D+01  0.739150D+00 -0.107081D+01
      2   0.323685D+01  0.266485D+01  0.739150D+00  0.569401D+01 -0.116135D-01
      3   0.266485D+01  0.125772D+01 -0.107081D+01 -0.116135D-01  0.979591D+00
               136           137           138           139           140 
      1  -0.433348D+00 -0.614048D-01 -0.141261D+01 -0.245572D-01 -0.632634D+00
      2  -0.614048D-01 -0.303940D+00 -0.305299D+00 -0.632634D+00  0.126260D+00
      3  -0.141261D+01 -0.305299D+00 -0.936277D+00  0.813750D-01 -0.914356D+00
               141           142           143           144           145 
      1   0.813750D-01 -0.246203D+01 -0.579115D+00 -0.158917D+01 -0.786627D+01
      2  -0.914356D+00 -0.579115D+00 -0.145060D+01 -0.429719D+00  0.311180D+01
      3   0.495566D+00 -0.158917D+01 -0.429719D+00 -0.803946D+01  0.740632D+00
               146           147           148           149           150 
      1   0.311180D+01  0.740632D+00  0.160852D+01 -0.139202D+01 -0.148036D+00
      2  -0.336205D+01 -0.641334D+00 -0.139202D+01  0.151593D+01  0.242541D-01
      3  -0.641334D+00 -0.126397D+01 -0.148036D+00  0.242541D-01  0.471086D+00
               151           152           153           154           155 
      1  -0.111213D+00 -0.126796D-02 -0.736545D+00 -0.554334D+01 -0.249375D+01
      2  -0.126796D-02 -0.179363D+00  0.595349D+00 -0.249375D+01 -0.224675D+01
      3  -0.736545D+00  0.595349D+00  0.508740D+00  0.764827D+00  0.467366D+00
               156           157           158           159           160 
      1   0.764827D+00 -0.482989D+01 -0.275921D+01  0.673430D+00  0.173590D+01
      2   0.467366D+00 -0.275921D+01 -0.333350D+01  0.703948D+00  0.897877D+00
      3  -0.109512D+01  0.673430D+00  0.703948D+00 -0.928025D+00 -0.126919D+01
               161           162           163           164           165 
      1   0.897877D+00 -0.126919D+01 -0.623620D+00  0.729019D+00  0.330396D+00
      2   0.106128D+01 -0.607167D+00  0.729019D+00 -0.193158D+01 -0.743474D-01
      3  -0.607167D+00  0.552567D+00  0.330396D+00 -0.743474D-01 -0.290709D+00
               166           167           168           169           170 
      1   0.162481D+01  0.110626D+00 -0.186138D+00  0.673568D+00  0.194419D-01
      2   0.110626D+00  0.857505D+01  0.749775D+00  0.194419D-01  0.208529D+01
      3  -0.186138D+00  0.749775D+00  0.138061D+01 -0.298251D-01  0.112428D+01
               171           172           173           174           175 
      1  -0.298251D-01  0.363773D+01  0.840885D+00  0.166232D+01  0.186563D+01
      2   0.112428D+01  0.840885D+00  0.193501D+01 -0.110060D+01  0.190753D+01
      3   0.216279D+00  0.166232D+01 -0.110060D+01  0.228880D+01 -0.542377D+00
               176           177           178           179           180 
      1   0.190753D+01 -0.542377D+00  0.131517D+01 -0.666245D+00  0.362895D+01
      2   0.176469D+01  0.418063D-01 -0.666245D+00 -0.773731D+00 -0.100401D+01
      3   0.418063D-01  0.135462D+01  0.362895D+01 -0.100401D+01  0.337865D+01
               181           182           183           184           185 
      1   0.444751D+01  0.234123D+01 -0.113791D+01  0.408522D+01  0.247552D+01
      2   0.234123D+01  0.196238D+01 -0.384646D+00  0.247552D+01  0.346099D+01
      3  -0.113791D+01 -0.384646D+00  0.105809D+01 -0.609687D+00 -0.139230D+01
               186           187           188           189           190 
      1  -0.609687D+00 -0.152946D+01 -0.410942D+00  0.144231D+01  0.216212D+01
      2  -0.139230D+01 -0.410942D+00 -0.106724D+01  0.747220D+00 -0.150347D+01
      3   0.106578D+01  0.144231D+01  0.747220D+00 -0.748284D+00 -0.162490D+01
               191           192           193           194           195 
      1  -0.150347D+01 -0.162490D+01 -0.301570D+01  0.333960D+01  0.152965D+01
      2   0.146723D+01  0.704532D+00  0.333960D+01 -0.531075D+01 -0.304458D+01
      3   0.704532D+00  0.107481D+01  0.152965D+01 -0.304458D+01 -0.325583D+01
               196           197           198           199           200 
      1  -0.242006D+01  0.147611D+01  0.206405D+01 -0.238005D+00 -0.806260D+00
      2   0.147611D+01 -0.261866D+01 -0.263917D+01 -0.806260D+00  0.205120D+01
      3   0.206405D+01 -0.263917D+01 -0.364478D+01 -0.342053D+00  0.391831D+00
               201           202           203           204           205 
      1  -0.342053D+00 -0.124783D+01 -0.300580D+00  0.139668D+00 -0.724075D+00
      2   0.391831D+00 -0.300580D+00 -0.106729D+02 -0.192329D+01 -0.122412D+00
      3   0.242570D+00  0.139668D+00 -0.192329D+01 -0.163877D+01 -0.395022D-01
               206           207           208           209           210 
      1  -0.122412D+00 -0.395022D-01 -0.212382D+01 -0.937590D+00  0.207251D+00
      2  -0.460892D+01 -0.205425D+01 -0.937590D+00 -0.157653D+01  0.896783D+00
      3  -0.205425D+01 -0.104961D+01  0.207251D+00  0.896783D+00 -0.156130D+01
               211           212           213           214           215 
      1  -0.217690D+01 -0.716153D+00  0.273634D+00  0.776324D+00  0.320620D+00
      2  -0.716153D+00 -0.318404D+01  0.168618D+01  0.320620D+00  0.152565D+01
      3   0.273634D+00  0.168618D+01 -0.210757D+01 -0.295354D+00 -0.107869D+01
               216 
      1  -0.295354D+00
      2  -0.107869D+01
      3   0.226738D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.728679D-01  0.371505D+00 -0.236659D+01 -0.906936D+00  0.671216D+00
      2  -0.267662D+00 -0.287159D+00 -0.701087D+00  0.750552D+00  0.185055D+01
      3  -0.264337D+01  0.207203D+00 -0.124907D+00  0.480097D+01  0.198763D+01
                 6             7             8             9            10 
      1   0.145972D+01 -0.132340D+01  0.429019D+01 -0.809348D+01 -0.546704D+00
      2   0.116642D+01 -0.418874D+01  0.410228D+00 -0.566801D+01 -0.201050D+01
      3  -0.298401D+00  0.914918D-01 -0.220525D+01  0.422577D+00 -0.255842D+01
                11            12            13            14            15 
      1  -0.166763D+01 -0.634579D+00  0.322530D+00  0.438228D+00 -0.163571D+01
      2  -0.981162D+00  0.305416D+01 -0.314591D+00 -0.150904D+01 -0.329455D+01
      3  -0.579395D+01  0.143284D-01  0.151373D+00 -0.282140D-03  0.164309D+01
                16            17            18            19            20 
      1  -0.114706D+01  0.469556D+01 -0.144775D+01  0.857135D-01 -0.409756D+00
      2  -0.912031D+00 -0.148491D+01  0.114503D+02 -0.347607D+00  0.932382D+00
      3  -0.596710D+00  0.273730D+01  0.221294D+01  0.337611D+01 -0.687175D+00
                21            22            23            24            25 
      1   0.286102D+01 -0.332742D+00 -0.214499D+01 -0.207410D+01  0.268740D+01
      2   0.934700D+00 -0.108587D+01  0.852243D+00 -0.434504D+00 -0.494843D+01
      3  -0.443613D+00  0.465586D+01 -0.546595D+01 -0.247373D+01 -0.533955D-01
                26            27            28            29            30 
      1   0.194649D+01  0.698493D+01 -0.241636D+01 -0.937901D+00  0.104884D+01
      2   0.644503D+00 -0.359410D+01 -0.673492D+01  0.378219D+01 -0.157404D+01
      3  -0.117544D+01 -0.299642D+01 -0.746684D+01 -0.920691D+01 -0.561598D+00
                31            32            33            34            35 
      1  -0.797795D+00  0.164110D+00  0.252244D+01  0.260988D+00  0.411995D+01
      2   0.245423D+01 -0.133634D+01 -0.424163D+01 -0.485353D+01  0.213279D+00
      3  -0.662691D+01  0.143559D+01  0.358321D+01  0.234501D+00  0.351990D+01
                36            37            38            39            40 
      1  -0.596784D+00  0.167632D+01  0.156598D+00 -0.200433D+01  0.143692D+01
      2   0.120110D+02  0.363292D+01 -0.863953D+00  0.103437D+02 -0.193257D+01
      3   0.194292D+01 -0.784016D+01 -0.399929D+01  0.966404D-01  0.157891D+02
                41            42            43            44            45 
      1   0.260258D+01 -0.607368D+01  0.208128D+01  0.253569D+01  0.415129D+00
      2  -0.117558D+01  0.200244D+01 -0.505850D+01 -0.136606D+01  0.565458D-01
      3   0.566166D+01 -0.278691D+00 -0.287956D+01 -0.140455D+01 -0.278433D+00
                46            47            48            49            50 
      1   0.582415D+00 -0.931286D+00  0.265599D+01 -0.891843D+00 -0.392714D+01
      2  -0.343609D+01 -0.128019D+01 -0.698742D+01  0.171589D-01  0.245971D+01
      3   0.642068D+01  0.420959D+01 -0.185380D+00  0.196237D+01 -0.197578D+01
                51            52            53            54            55 
      1  -0.727782D+00  0.179358D+00  0.891137D+00  0.901631D+01 -0.850958D+00
      2   0.232627D+01 -0.683833D+01 -0.614144D+00 -0.100360D+02 -0.609427D+01
      3  -0.200046D+01  0.904220D+00 -0.142594D+01 -0.354271D+01  0.180528D+02
                56            57            58            59            60 
      1   0.396738D+00 -0.518624D+00  0.191653D+01 -0.248362D+01 -0.642433D+01
      2   0.273830D+01  0.179615D+01  0.715668D+00 -0.271123D+01 -0.173433D+01
      3  -0.353705D+01 -0.427090D+00  0.552567D+01  0.675330D+01  0.815467D+00
                61            62            63            64            65 
      1   0.503588D+00  0.941979D+00 -0.261256D+01  0.115085D+01  0.289566D+00
      2  -0.342860D+01 -0.146137D+01 -0.120756D+01  0.102231D+01 -0.491408D+00
      3   0.315988D+01  0.289907D+01  0.101429D+01 -0.269992D-01 -0.187134D+01
                66            67            68            69            70 
      1   0.743801D+00 -0.123267D-01  0.140029D+01 -0.134221D+01  0.840317D+00
      2   0.202650D+01 -0.209097D-01  0.444611D+00 -0.211562D+00 -0.311284D+01
      3  -0.961545D+00  0.846218D+00 -0.317507D+00 -0.763916D+00 -0.262406D+01
                71            72            73            74            75 
      1   0.339249D+01  0.920344D+01  0.614738D+00 -0.196711D+00  0.633964D+00
      2  -0.424667D+00  0.649486D+01  0.480720D+01  0.249120D+01  0.438915D+01
      3  -0.163524D+01 -0.124541D+00  0.110431D+02 -0.218614D+01 -0.264102D+01
                76            77            78            79            80 
      1  -0.138096D+01  0.109631D+01 -0.171608D+01  0.988282D+00  0.263695D+01
      2   0.218648D+01  0.281180D+01 -0.346974D+01 -0.244805D+01 -0.163168D+01
      3   0.835934D+01  0.169708D+02 -0.285559D+01 -0.242085D+01 -0.570360D+01
                81            82            83            84            85 
      1  -0.221444D-01  0.262465D+00  0.893197D+00  0.278932D+00  0.595561D+00
      2   0.197531D+01 -0.295034D+01  0.868329D-01 -0.114139D+01  0.592622D+00
      3   0.124401D+01  0.451035D-01 -0.416342D-01 -0.250272D+00  0.180011D+01
                86            87            88            89            90 
      1  -0.256257D+00 -0.156562D+01  0.203943D+00  0.355709D+01  0.104549D+01
      2  -0.151401D+01  0.146383D+01 -0.473959D+01  0.796658D+00 -0.116959D+02
      3  -0.587527D+00  0.124075D+01 -0.457050D+00  0.208329D+01 -0.512999D+00
                91            92            93            94            95 
      1  -0.190972D+01  0.901147D+00 -0.108879D+01  0.465430D+00 -0.143463D+01
      2   0.847296D-01  0.698476D+00  0.543628D+00  0.114369D+01 -0.716054D-01
      3   0.122993D+01 -0.215356D+01  0.124679D+01  0.219381D+00  0.995796D+00
                96            97            98            99           100 
      1  -0.171829D+00 -0.203886D+01  0.406259D+01 -0.769331D+01  0.216211D+01
      2   0.243961D+00 -0.364682D+01  0.371258D+00  0.401009D+01 -0.266705D+00
      3  -0.522001D+00  0.262395D+01 -0.189903D+01  0.136530D+01  0.809733D+01
               101           102           103           104           105 
      1  -0.194688D+01 -0.376206D+01 -0.512858D+00  0.769334D+01 -0.130246D+01
      2  -0.451634D+00  0.457818D+01  0.888282D+00 -0.119431D+01  0.114226D+01
      3  -0.103088D+02 -0.225961D+01 -0.154225D+00  0.109245D+02  0.294333D+01
               106           107           108           109           110 
      1  -0.240266D+01  0.497326D+01  0.313196D+01  0.335805D+01  0.105941D+01
      2  -0.110752D+01  0.584979D+00 -0.120778D+01  0.985756D+01 -0.366804D+01
      3  -0.488119D+01  0.517919D+01  0.202587D+01  0.687803D+01  0.790145D+01
               111           112           113           114           115 
      1  -0.896719D+00  0.145249D+01  0.157848D+01 -0.325823D+01 -0.121553D+01
      2   0.127433D+01 -0.440265D+01  0.940520D+01  0.701739D+01 -0.892057D+01
      3  -0.238377D+00  0.188718D+02 -0.744685D+00 -0.104905D+02  0.880912D+00
               116           117           118           119           120 
      1  -0.248396D+01 -0.221805D+01  0.146773D-01  0.101548D+01  0.428672D+00
      2   0.739732D+01 -0.401258D+01 -0.246426D+01 -0.234335D+00  0.109251D+00
      3  -0.103485D+02 -0.641374D+01  0.241019D+00  0.532907D-01  0.272791D+00
               121           122           123           124           125 
      1   0.272912D+00 -0.141154D+01 -0.243643D+00  0.179902D+00  0.465711D+01
      2  -0.665632D-01 -0.212647D+01  0.831330D+00 -0.573796D+01  0.466647D+00
      3   0.246910D+01 -0.162702D+01  0.166685D+01  0.622821D+00  0.226878D+01
               126           127           128           129           130 
      1  -0.103729D+01  0.141093D+01 -0.268961D+00 -0.344951D+01  0.100685D+01
      2  -0.126475D+02 -0.256449D+01 -0.315285D+00  0.448137D+01  0.363078D+00
      3  -0.183921D+01  0.558879D+01 -0.741141D+01 -0.245326D+01  0.406314D+01
               131           132           133           134           135 
      1   0.129742D+02 -0.201462D+01 -0.155752D+01  0.619755D+01  0.530881D+01
      2  -0.435160D+01  0.518699D+00 -0.349647D+00  0.781769D-01 -0.240012D+01
      3   0.110675D+02  0.469745D+01 -0.590748D+01  0.875126D+01  0.312209D+01
               136           137           138           139           140 
      1  -0.184610D+01  0.141827D+00 -0.105565D+01  0.628587D+00 -0.157544D+01
      2   0.133260D+01  0.686487D+00  0.180974D+01  0.796991D+00  0.735338D+00
      3   0.965357D+00 -0.180387D+01  0.171095D+01  0.693523D-01  0.166681D+01
               141           142           143           144           145 
      1   0.554500D+00 -0.809177D+00  0.522826D+01 -0.895834D+01 -0.357601D+00
      2  -0.117480D+01 -0.327486D+01 -0.175378D+00  0.984780D+01  0.494745D+01
      3  -0.100891D+01  0.332456D+01 -0.168282D+01  0.272168D+01 -0.197126D+02
               146           147           148           149           150 
      1  -0.295269D+00  0.314006D+01 -0.967525D-01  0.259428D+00 -0.859761D+00
      2  -0.128379D+01  0.290493D+01 -0.835554D+00  0.766350D+00 -0.838680D+00
      3   0.257938D+00  0.985964D+00  0.219361D+01 -0.233969D+01 -0.647959D+00
               151           152           153           154           155 
      1   0.153365D+01 -0.454876D+00 -0.895971D+00  0.596693D-01  0.397331D-01
      2   0.539602D+00 -0.940127D+00 -0.424577D+00 -0.249176D+01 -0.168260D+01
      3  -0.815912D+00 -0.532480D+00 -0.675288D+00 -0.850701D+01 -0.879453D+01
               156           157           158           159           160 
      1  -0.850023D+00  0.532965D+00 -0.859715D+00 -0.107959D+01 -0.342658D+00
      2   0.392565D+01 -0.249692D+01 -0.258744D+01  0.393330D+01  0.274236D+01
      3   0.184652D+01 -0.832124D+01 -0.145440D+02  0.255285D+01  0.332918D+01
               161           162           163           164           165 
      1   0.816085D+00  0.407184D+00 -0.166085D+01  0.194794D+01  0.165043D+01
      2   0.188441D+01 -0.152304D+01  0.243280D+00  0.871506D-01 -0.596118D+00
      3   0.426743D+01 -0.169649D+01 -0.512446D+01  0.528445D+01  0.177025D+01
               166           167           168           169           170 
      1   0.102779D+01 -0.729422D+01 -0.536934D+01  0.415756D+00 -0.330577D+01
      2  -0.757214D-01  0.732890D+00  0.122179D+01 -0.112799D+01  0.118460D+01
      3   0.652622D+01 -0.147893D+02 -0.226618D+01  0.301925D+01 -0.408005D+01
               171           172           173           174           175 
      1  -0.152458D+01  0.270739D+01  0.302091D+01  0.174644D+01  0.139459D+01
      2   0.320821D+00 -0.592662D+00 -0.609271D+01  0.121934D+02 -0.454995D+01
      3  -0.184264D+01 -0.837014D+01 -0.101293D+02  0.274062D+01 -0.669311D+01
               176           177           178           179           180 
      1   0.381771D+01 -0.382234D+01  0.425133D+00  0.453131D+01  0.495118D+01
      2  -0.247827D+01  0.414434D+01  0.492003D+01 -0.458118D+00  0.120879D+02
      3  -0.594953D+01  0.404652D+00  0.158991D+01  0.140178D+01  0.697820D-01
               181           182           183           184           185 
      1  -0.206430D+01 -0.160540D+01 -0.471837D+00 -0.184875D+01 -0.320786D+01
      2  -0.781951D+00  0.303417D-01  0.385317D+01  0.110874D+01 -0.289757D+01
      3  -0.840257D+01 -0.851775D+01  0.180362D+01 -0.727775D+01 -0.143331D+02
               186           187           188           189           190 
      1  -0.852558D-01  0.331972D+00  0.231483D+01 -0.625463D+00  0.141927D+00
      2   0.404224D+01  0.197409D+01  0.199660D+01 -0.108180D+01 -0.320541D+01
      3   0.460695D+01  0.156727D+01  0.391530D+01 -0.276598D+01  0.247336D+01
               191           192           193           194           195 
      1  -0.110745D+01  0.870795D+00 -0.136939D+01  0.320792D+01 -0.260644D+01
      2   0.137615D+01  0.290975D+01  0.117110D+01 -0.649244D+01 -0.975356D+01
      3  -0.477710D+01 -0.116082D+01 -0.461225D+01  0.136894D+02  0.755948D+01
               196           197           198           199           200 
      1   0.440165D+00  0.156541D+01 -0.169379D+01 -0.336860D+00  0.207876D+01
      2   0.223177D+01 -0.662537D+01 -0.952724D+01  0.850213D+00 -0.130212D+00
      3  -0.158586D+01  0.693731D+01  0.627407D+01 -0.228791D+01  0.418727D+01
               201           202           203           204           205 
      1   0.166506D+01  0.342333D+00 -0.830866D+01 -0.636452D+01  0.154036D+00
      2  -0.150076D+00 -0.770247D+00  0.261039D+01  0.210236D+01 -0.103176D+01
      3   0.145983D+01  0.461931D+01 -0.170711D+02 -0.393742D+01  0.254097D+01
               206           207           208           209           210 
      1  -0.626506D+01 -0.337449D+01 -0.231067D+01 -0.294557D+01 -0.625286D+00
      2   0.267534D+01  0.123935D+01  0.651634D+01  0.496191D+01 -0.551716D+01
      3  -0.753947D+01 -0.351330D+01  0.791695D+01  0.610659D+01 -0.235168D+01
               211           212           213           214           215 
      1  -0.233108D+01 -0.310865D+01 -0.259594D+00  0.222986D+00  0.216768D+01
      2   0.436297D+01  0.777679D+01 -0.700329D+01 -0.326653D+01 -0.413156D+01
      3   0.734705D+01  0.920201D+01 -0.508513D+01 -0.166684D+01 -0.432821D+01
               216 
      1   0.440454D+00
      2   0.644706D+01
      3   0.378623D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.773985D+01 -0.503022D+01 -0.115504D+01 -0.469244D+01  0.630834D+01
      2  -0.364012D+01  0.813444D+01  0.345734D+00  0.686143D+01 -0.147908D+02
      3  -0.409974D+01 -0.310423D+01  0.809307D+00 -0.216899D+01  0.848246D+01
      4  -0.133116D+01 -0.624144D+01 -0.205546D+00 -0.987473D+01  0.743951D+01
      5   0.118216D+01 -0.194079D+01 -0.392093D+01 -0.369174D+01  0.140153D+01
      6   0.133274D+01  0.226978D+01  0.551738D+01  0.295596D+01 -0.762890D+01
                 6             7             8             9            10 
      1   0.377807D+01  0.114791D+01  0.423024D+01  0.514155D+01 -0.281909D+02
      2  -0.183471D+01  0.340275D+01 -0.106550D+02  0.294787D+01  0.153615D+02
      3  -0.194336D+01 -0.455066D+01  0.642474D+01 -0.808941D+01  0.128294D+02
      4   0.222723D+01 -0.180191D+01  0.711112D+01  0.566956D+01  0.424837D+01
      5   0.303869D+01 -0.260496D+01  0.364887D+01 -0.176588D+02 -0.442289D+00
      6  -0.808198D+01  0.501750D+01 -0.456268D+01  0.217795D+02 -0.458208D+00
                11            12            13            14            15 
      1  -0.220376D+01  0.199883D+01  0.292451D+01  0.778712D+01  0.109413D+00
      2   0.505513D+01  0.134572D+01 -0.142389D+01 -0.179955D+01 -0.330803D+00
      3  -0.285137D+01 -0.334454D+01 -0.150062D+01 -0.598757D+01  0.221390D+00
      4   0.138502D+01  0.166833D+00  0.818432D+01  0.130740D+01 -0.215638D+01
      5  -0.242604D+00  0.122718D+01  0.834710D+00 -0.123742D+01 -0.581348D+01
      6   0.869751D+00  0.248457D+01 -0.108424D+01 -0.115400D+00 -0.491681D+00
                16            17            18            19            20 
      1  -0.479004D+01  0.257407D+01  0.136491D+02 -0.386536D+01  0.469540D+01
      2   0.293347D+01 -0.653481D+01  0.172463D+01  0.117003D+01 -0.973173D+01
      3   0.185657D+01  0.396074D+01 -0.153738D+02  0.269532D+01  0.503633D+01
      4   0.227574D+01 -0.332184D+01 -0.283418D+01 -0.215911D+01 -0.807408D+01
      5   0.749427D+01 -0.307637D+01  0.244349D+02  0.136473D+01  0.331651D+01
      6   0.805298D+00  0.763102D+00  0.594262D+01 -0.949464D-01  0.393069D+01
                21            22            23            24            25 
      1  -0.211416D+01  0.311072D+01 -0.289359D+01 -0.297343D+01  0.147713D+01
      2   0.140978D+00 -0.779432D+01 -0.306849D+00  0.338997D+01  0.375013D+01
      3   0.197318D+01  0.468360D+01  0.320044D+01 -0.416544D+00 -0.522725D+01
      4   0.142067D+01 -0.118285D+02 -0.660553D+01  0.158308D+01  0.363966D+01
      5  -0.443407D+01  0.146209D+01  0.361509D+01 -0.170625D+00 -0.151385D+01
      6  -0.587780D+01  0.286405D+01  0.486642D+01 -0.221156D+01 -0.411968D+01
                26            27            28            29            30 
      1  -0.107835D+01 -0.252878D+01 -0.158378D+02  0.781463D+01 -0.342718D+00
      2   0.501894D+01  0.568643D+01  0.757437D+01 -0.915478D+01  0.141593D+01
      3  -0.394059D+01 -0.315765D+01  0.826342D+01  0.134015D+01 -0.107321D+01
      4   0.658080D+01 -0.111406D+01 -0.104583D+01 -0.238689D+01 -0.789722D+00
      5   0.797423D+00 -0.106483D+02 -0.173124D+01 -0.146298D+01 -0.273405D+01
      6   0.181202D+01 -0.171856D+02 -0.418534D+00 -0.264456D+01 -0.550184D+00
                31            32            33            34            35 
      1   0.451200D+01  0.115924D+02 -0.376366D+01 -0.599896D+01 -0.168003D+00
      2  -0.341829D+01 -0.118387D+02 -0.388494D+01  0.307220D+01 -0.816598D+00
      3  -0.109371D+01  0.246255D+00  0.764860D+01  0.292676D+01  0.984601D+00
      4  -0.313016D+01 -0.886476D+01 -0.546622D+01  0.453630D+01 -0.236009D+01
      5   0.191200D+01 -0.802758D+01 -0.866400D+01  0.489224D+00 -0.277730D+01
      6  -0.477202D+01  0.384087D+01 -0.108361D+01 -0.177101D+01  0.156515D+01
                36            37            38            39            40 
      1   0.178705D+02  0.130432D+02 -0.268372D+01  0.136282D+01 -0.122504D+01
      2   0.132015D+02 -0.757341D+01  0.297347D+01 -0.168060D+01  0.226301D+01
      3  -0.310720D+02 -0.546977D+01 -0.289753D+00  0.317779D+00 -0.103796D+01
      4  -0.343362D+01 -0.804500D+01  0.144406D+02  0.513575D-01  0.135882D+02
      5   0.201236D+02  0.219288D+01  0.669107D+00  0.167475D+02 -0.183868D+01
      6   0.436080D-01  0.139637D+01  0.849070D+00  0.513973D+01  0.142573D+01
                41            42            43            44            45 
      1  -0.122518D+02  0.347006D+01  0.337938D+01  0.221644D+01 -0.466682D+01
      2   0.177724D+02  0.190698D+01 -0.435243D+01 -0.290244D+01 -0.340953D+01
      3  -0.552062D+01 -0.537704D+01  0.973047D+00  0.686000D+00  0.807634D+01
      4   0.156112D+00  0.950146D+00 -0.550989D+01 -0.825037D+00 -0.168381D+01
      5   0.196275D+01  0.295817D+01  0.517135D+01 -0.137243D+01  0.143658D+01
      6  -0.673446D+00  0.550990D+01 -0.128349D+01  0.462196D+01  0.745591D+00
                46            47            48            49            50 
      1  -0.117071D+02  0.605793D+01  0.191150D+01 -0.279504D+01 -0.449480D+01
      2   0.955105D+01 -0.777643D+01  0.171178D+01 -0.507727D+01 -0.154056D+01
      3   0.215608D+01  0.171850D+01 -0.362328D+01  0.787231D+01  0.603536D+01
      4   0.610682D+01 -0.145860D+02 -0.172909D+01 -0.157945D+02 -0.923117D+01
      5   0.116599D+01 -0.242184D+00 -0.165405D+02  0.225421D+01  0.177625D+01
      6  -0.555287D+00  0.166508D+01 -0.916533D+01  0.373649D+00  0.603736D+01
                51            52            53            54            55 
      1  -0.465605D+01  0.413766D+01 -0.431312D+01  0.457993D+01 -0.151313D+02
      2  -0.102190D+01  0.378719D+01  0.781747D+01  0.159953D+02  0.583505D+01
      3   0.567795D+01 -0.792485D+01 -0.350436D+01 -0.205752D+02  0.929627D+01
      4   0.255941D+01  0.249088D+01  0.606407D+01 -0.395116D+00  0.237125D+02
      5   0.346070D+01 -0.630122D+01  0.749083D+00 -0.214727D+02  0.159923D+01
      6  -0.155809D+01 -0.391398D+01  0.217118D+01 -0.211889D+02  0.198583D+01
                56            57            58            59            60 
      1   0.319153D+01 -0.577270D+00  0.356598D+01 -0.254490D+02 -0.792894D+01
      2  -0.968572D+00  0.152257D+01 -0.613889D+01  0.418681D+02  0.574590D+01
      3  -0.222295D+01 -0.945301D+00  0.257291D+01 -0.164191D+02  0.218304D+01
      4   0.384405D+00  0.509171D+00  0.100808D+02 -0.198329D+02 -0.503414D+01
      5  -0.560909D+00  0.356359D+01  0.221690D+01 -0.367505D+01 -0.217577D+01
      6  -0.571192D-02  0.472537D+00 -0.282055D+01  0.132915D+02  0.123617D+02
                61            62            63            64            65 
      1  -0.493015D+00 -0.100570D+02 -0.851707D+01  0.102994D+01  0.533000D+00
      2  -0.164745D+01  0.134008D+02  0.375642D+01 -0.312644D+01 -0.138218D+01
      3   0.214046D+01 -0.334385D+01  0.476065D+01  0.209650D+01  0.849183D+00
      4   0.652270D+01 -0.939958D+01 -0.541890D+01 -0.155434D+01  0.383053D+01
      5   0.510416D+01 -0.525691D+01 -0.306533D+01  0.424993D+01 -0.126411D+01
      6  -0.371522D+01  0.151597D+02  0.750181D+01 -0.349998D+01  0.295982D+00
                66            67            68            69            70 
      1   0.216750D+01  0.100624D+01 -0.380740D+01  0.292494D+01  0.136351D+01
      2  -0.251967D+01 -0.169523D+01  0.299579D+01 -0.295384D+01 -0.275649D+01
      3   0.352173D+00  0.688988D+00  0.811608D+00  0.289003D-01  0.139298D+01
      4  -0.313174D+01  0.316958D+01 -0.271328D+01  0.264157D+01 -0.468197D+01
      5   0.861345D+01 -0.794518D-01  0.255772D+01 -0.138645D+01  0.619505D+01
      6  -0.217073D+01  0.115883D+01 -0.417586D+01  0.800396D+01 -0.364064D+01
                71            72            73            74            75 
      1   0.441019D+01 -0.120339D+02  0.461257D+02 -0.157016D+02  0.311076D+01
      2  -0.357552D+01 -0.113275D+02 -0.280064D+02  0.751325D+01 -0.189897D+01
      3  -0.834672D+00  0.233614D+02 -0.181192D+02  0.818830D+01 -0.121179D+01
      4   0.397039D+01 -0.396615D+01 -0.192645D+02  0.137628D+01  0.315444D+01
      5  -0.270987D+01  0.182687D+02  0.551156D+01  0.428162D+01  0.813179D+01
      6   0.681802D+01 -0.233722D+02  0.524548D+00  0.144929D+00 -0.193087D+01
                76            77            78            79            80 
      1  -0.323088D+02 -0.895112D+01  0.390848D+01  0.170332D+02  0.381651D+01
      2   0.177928D+02  0.763723D+01 -0.179230D+01 -0.925621D+01 -0.171074D+01
      3   0.145160D+02  0.131389D+01 -0.211618D+01 -0.777702D+01 -0.210578D+01
      4  -0.401892D+01 -0.212514D+02  0.584928D+01  0.333020D+01  0.749952D+01
      5   0.475834D+01  0.704924D+01 -0.541349D+01  0.906182D+01 -0.327233D+01
      6   0.188731D+01  0.181238D+01  0.355299D+01 -0.106624D+01  0.187658D+01
                81            82            83            84            85 
      1   0.232544D+01  0.304484D+00  0.194284D+00 -0.567799D+01  0.776835D+00
      2  -0.465764D+01 -0.323066D+01  0.758013D-01  0.712830D+00 -0.412373D+00
      3   0.233220D+01  0.292618D+01 -0.270085D+00  0.496516D+01 -0.364461D+00
      4  -0.306601D+01 -0.260188D+00  0.123149D+00 -0.287185D+00  0.228013D+00
      5   0.211515D+01 -0.223312D+01 -0.319901D+00  0.319053D+01 -0.559043D-01
      6   0.268292D+00 -0.777393D+00  0.437235D+00 -0.724520D+00  0.277625D-01
                86            87            88            89            90 
      1  -0.470508D+01  0.174723D+01 -0.737582D+01  0.165374D+01 -0.176561D+02
      2   0.475503D+00 -0.242270D+00  0.329039D+01  0.601352D+00 -0.138448D+02
      3   0.422957D+01 -0.150496D+01  0.408542D+01 -0.225509D+01  0.315009D+02
      4   0.129420D+01 -0.222658D+01 -0.918455D+00 -0.388891D+01  0.171670D+01
      5  -0.247112D+01  0.244780D+01  0.341753D+01  0.216713D+01 -0.218369D+02
      6  -0.168524D+01  0.785952D+01 -0.192974D+00  0.385660D+01 -0.523130D+01
                91            92            93            94            95 
      1   0.232374D+01 -0.200809D+01  0.205958D+01 -0.189845D+01 -0.618990D+00
      2  -0.363490D+01  0.279440D+01 -0.133776D+01  0.238101D+01 -0.114109D+01
      3   0.131117D+01 -0.786302D+00 -0.721819D+00 -0.482557D+00  0.176008D+01
      4   0.410625D+00  0.309437D+01  0.127894D+01  0.352494D+01  0.621717D+00
      5   0.350111D+01 -0.579386D+00  0.576700D+01 -0.166162D+00  0.216087D+01
      6   0.205580D+01 -0.321820D-01  0.189172D+01  0.642769D+00  0.135541D+01
                96            97            98            99           100 
      1  -0.115133D+01  0.180292D+01 -0.312927D+01 -0.856013D+01  0.120865D+02
      2   0.185121D+01 -0.381906D+01  0.475088D+01 -0.128105D+02 -0.226045D+01
      3  -0.699884D+00  0.201614D+01 -0.162161D+01  0.213706D+02 -0.982607D+01
      4   0.247163D+01  0.251416D+01  0.321087D+01  0.936466D+00  0.196328D+02
      5   0.344705D+00  0.561559D+01 -0.377690D+00  0.133871D+02 -0.453921D+01
      6   0.445600D+01  0.244649D+01  0.273895D+01  0.152637D+02 -0.593707D+01
               101           102           103           104           105 
      1  -0.899541D+01 -0.325850D+00 -0.330773D+01  0.993967D+01  0.593803D+01
      2   0.207185D+02  0.252905D+01  0.116875D+02 -0.106526D+02 -0.873675D+01
      3  -0.117231D+02 -0.220320D+01 -0.837974D+01  0.712940D+00  0.279872D+01
      4   0.223858D+02 -0.406766D+01  0.191158D+02  0.119177D+02 -0.432983D+01
      5  -0.146849D+01  0.861679D+01 -0.111105D+01 -0.734784D+01  0.128261D+01
      6  -0.356310D+01  0.647655D+01 -0.267819D+01 -0.108473D+02  0.660603D+01
               106           107           108           109           110 
      1  -0.200622D+01  0.109442D+02 -0.965398D+00  0.115533D+02 -0.146669D+02
      2   0.312251D+00 -0.173127D+02 -0.193765D+01 -0.810681D+01  0.110314D+02
      3   0.169397D+01  0.636851D+01  0.290305D+01 -0.344653D+01  0.363552D+01
      4  -0.780431D+01 -0.110226D+02  0.612578D+01 -0.125929D+02 -0.142142D+02
      5   0.772749D+01  0.356558D+01 -0.348314D+01  0.744921D+01 -0.374440D-01
      6   0.784090D+01  0.884856D+01 -0.701068D+01 -0.175759D+01  0.563414D+01
               111           112           113           114           115 
      1   0.774539D+01 -0.151563D+02 -0.202229D+02  0.297782D+01  0.102277D+02
      2  -0.116189D+01  0.109185D+02  0.737249D+01 -0.652866D+01 -0.386785D+01
      3  -0.658351D+01  0.423777D+01  0.128504D+02  0.355084D+01 -0.635983D+01
      4  -0.207151D+01 -0.256756D+02  0.838544D+01  0.237363D+02 -0.303146D+01
      5  -0.819643D+01 -0.161450D+01  0.269820D+02  0.166347D+02 -0.298086D+02
      6   0.325898D+01  0.101343D+02 -0.102109D+02 -0.106876D+02  0.997992D+01
               116           117           118           119           120 
      1   0.312813D+01 -0.130424D+02  0.131692D+01 -0.942811D-01 -0.451740D+01
      2  -0.280247D+01  0.492413D+01 -0.467989D+01  0.101234D+00  0.125037D+01
      3  -0.325665D+00  0.811824D+01  0.336298D+01 -0.695283D-02  0.326703D+01
      4   0.189105D+02  0.192915D+02 -0.173481D+00  0.151405D+01  0.111860D+01
      5   0.188545D+02 -0.261168D+01 -0.388446D+01  0.161186D+00  0.696163D+01
      6  -0.176282D+02 -0.528096D+01  0.535671D+00  0.581915D+00 -0.461605D+00
               121           122           123           124           125 
      1  -0.272773D-01 -0.532168D+01  0.591899D+00 -0.403485D+01  0.117265D+01
      2  -0.409277D+00  0.815202D+00  0.170232D+01  0.519380D+01  0.837002D+00
      3   0.436555D+00  0.450648D+01 -0.229422D+01 -0.115896D+01 -0.200966D+01
      4   0.150874D+01  0.155768D+01 -0.201063D+01  0.112912D+01 -0.247736D+01
      5  -0.531940D+00 -0.265316D+01  0.210069D+01  0.714890D+01  0.139913D+01
      6   0.182333D+00 -0.296375D+00  0.808841D+01  0.741170D+00  0.492611D+01
               126           127           128           129           130 
      1  -0.224552D+02  0.102336D+02 -0.765435D+01 -0.251900D+01 -0.521616D+00
      2  -0.196857D+02  0.123339D+01  0.195943D+02  0.385326D+01  0.997832D+01
      3   0.421409D+02 -0.114670D+02 -0.119399D+02 -0.133426D+01 -0.945671D+01
      4   0.168808D+01  0.166210D+02  0.228943D+02 -0.342513D+01  0.196064D+02
      5  -0.216964D+02 -0.287595D+01  0.508223D+00  0.730912D+01 -0.397952D+00
      6   0.250718D+01 -0.382486D+01  0.101790D+01  0.595741D+01  0.284780D+00
               131           132           133           134           135 
      1   0.158118D+02  0.108980D+02 -0.450941D+01  0.177814D+02  0.102301D+01
      2  -0.177525D+02 -0.149316D+02  0.330898D+00 -0.306580D+02 -0.591365D+01
      3   0.194072D+01  0.403360D+01  0.417851D+01  0.128766D+02  0.489064D+01
      4   0.972164D+01 -0.566535D+01 -0.972365D+01 -0.168167D+02  0.359493D+01
      5  -0.732962D+01  0.469968D+00  0.664178D+01  0.307717D+00 -0.421217D+01
      6  -0.209029D+02  0.354999D+01  0.584059D+01  0.302510D+01 -0.959544D+01
               136           137           138           139           140 
      1   0.171945D+01 -0.225033D+00  0.235854D+01 -0.123710D+01 -0.211933D+01
      2  -0.502651D+01  0.232063D+00 -0.284499D+01  0.209577D+01 -0.781866D+00
      3   0.330706D+01 -0.703001D-02  0.486450D+00 -0.858671D+00  0.290120D+01
      4   0.140761D+01  0.337828D+01  0.342566D+01  0.348864D+01  0.378400D+00
      5   0.580556D+01  0.103098D+01  0.105641D+02 -0.589625D+00  0.282855D+01
      6   0.353979D+01  0.869025D+00  0.272255D+01  0.104165D+01  0.209412D+01
               141           142           143           144           145 
      1  -0.101938D+01  0.263112D+00 -0.258487D+01 -0.151330D+02  0.238024D+02
      2   0.386651D+01 -0.450166D+01  0.312627D+01 -0.195011D+02 -0.377025D+01
      3  -0.284713D+01  0.423855D+01 -0.541404D+00  0.346340D+02 -0.200321D+02
      4   0.221291D+01  0.560518D+01  0.516912D+01  0.237296D+01 -0.387574D+02
      5  -0.256110D+01  0.101222D+02  0.187762D+01  0.227472D+02 -0.663401D+01
      6   0.522127D+01  0.454551D+01  0.562123D+01  0.214812D+02  0.245126D+01
               146           147           148           149           150 
      1  -0.343786D+01 -0.384629D+00 -0.190083D+01  0.101180D+01  0.390285D+00
      2  -0.773306D+01  0.661629D-01 -0.380336D+01  0.502376D+01 -0.111189D+00
      3   0.111709D+02  0.318466D+00  0.570420D+01 -0.603556D+01 -0.279096D+00
      4   0.219020D+02  0.397541D+01  0.119241D+02 -0.851373D+01 -0.811967D+00
      5   0.323857D+01  0.487180D+01  0.123266D+01 -0.601859D+00 -0.169142D+01
      6  -0.308659D+01 -0.540792D+01 -0.131951D+01  0.471813D+00  0.167969D+01
               151           152           153           154           155 
      1   0.930402D+00  0.215387D+00  0.446600D+00  0.344770D+02  0.156121D+02
      2   0.809161D-01 -0.865078D+00 -0.756475D+00 -0.177394D+02 -0.784917D+01
      3  -0.101132D+01  0.649691D+00  0.309875D+00 -0.167377D+02 -0.776296D+01
      4  -0.686959D+00  0.459170D+00 -0.398836D+01  0.163048D+02  0.146069D+02
      5   0.516643D+01 -0.247208D+01 -0.136404D+01 -0.620738D+01 -0.351960D+01
      6  -0.360537D+01  0.380986D+01  0.202907D+01 -0.118220D+01 -0.759633D+00
               156           157           158           159           160 
      1  -0.532217D+01  0.285175D+02  0.147092D+02 -0.422384D+01 -0.924582D+01
      2   0.245955D+01 -0.145916D+02 -0.535392D+01  0.202633D+01  0.561448D+01
      3   0.286263D+01 -0.139259D+02 -0.935526D+01  0.219752D+01  0.363133D+01
      4  -0.299118D+01  0.199535D+02  0.203150D+02 -0.507273D+01 -0.514804D+01
      5   0.694543D+01 -0.564716D+01 -0.557789D+01  0.630286D+01  0.960385D+01
      6   0.935283D+00 -0.189657D+01 -0.154220D+01  0.153549D+01  0.188428D+01
               161           162           163           164           165 
      1  -0.483427D+01  0.554479D+01 -0.218941D+01  0.844147D+01  0.206813D+00
      2   0.280405D+01 -0.440849D+01  0.376423D+01 -0.122442D+02 -0.154997D+01
      3   0.203022D+01 -0.113629D+01 -0.157482D+01  0.380269D+01  0.134316D+01
      4  -0.609348D+01  0.399090D+01 -0.138817D+01  0.810828D+00  0.119557D+01
      5   0.458652D+01 -0.363290D+01  0.622615D+00 -0.102598D+01 -0.100759D+01
      6   0.270409D+01 -0.130488D+01  0.140610D+01  0.374056D+00 -0.158273D+01
               166           167           168           169           170 
      1   0.339402D+01 -0.288711D+02 -0.217048D+01  0.942827D+00 -0.701815D+01
      2  -0.230622D+01  0.505347D+02  0.584393D+01 -0.665739D+00  0.119345D+02
      3  -0.108780D+01 -0.216636D+02 -0.367345D+01 -0.277088D+00 -0.491631D+01
      4   0.630038D+01  0.141155D+02  0.115734D+01  0.202233D+01  0.418288D+01
      5  -0.111184D+01  0.333615D+01  0.275724D+01  0.966531D+00  0.251073D+01
      6  -0.663367D+00  0.991466D+00  0.653776D+01 -0.401137D+00  0.732788D+01
               171           172           173           174           175 
      1  -0.488667D+01  0.296816D+02  0.934742D+01  0.322128D+01  0.125338D+02
      2   0.516696D+01 -0.182568D+02 -0.757930D+01 -0.585720D+01 -0.981281D+01
      3  -0.280284D+00 -0.114248D+02 -0.176812D+01  0.263592D+01 -0.272097D+01
      4   0.145334D+01 -0.368587D+01  0.134691D+02 -0.657053D+01  0.125406D+02
      5   0.698387D+00  0.163249D+02 -0.391614D+01  0.191924D+02 -0.211326D+01
      6   0.168908D+01 -0.503383D+00  0.809908D+01 -0.693837D+01  0.590465D+01
               176           177           178           179           180 
      1   0.140783D+02 -0.501736D+01  0.634397D+01 -0.781456D+01  0.884968D+01
      2  -0.648046D+01  0.229059D+01 -0.723665D+01  0.275727D+01 -0.180642D+02
      3  -0.759786D+01  0.272677D+01  0.892675D+00  0.505729D+01  0.921455D+01
      4   0.280529D+01  0.275926D+01 -0.706503D+01  0.286251D+00 -0.967679D+01
      5   0.418544D+01  0.390417D+01  0.302704D+02 -0.901042D+01  0.260715D+02
      6   0.379627D+01  0.823515D+00 -0.970880D+01  0.101456D+02 -0.189574D+01
               181           182           183           184           185 
      1   0.330445D+02  0.163059D+02 -0.715031D+01  0.264306D+02  0.141312D+02
      2  -0.178331D+02 -0.876745D+01  0.411597D+01 -0.148794D+02 -0.549988D+01
      3  -0.152115D+02 -0.753842D+01  0.303433D+01 -0.115512D+02 -0.863131D+01
      4   0.147691D+02  0.136091D+02 -0.273720D+01  0.168280D+02  0.204485D+02
      5  -0.107924D+02 -0.472417D+01  0.933564D+01 -0.756157D+01 -0.105719D+02
      6  -0.128703D+01 -0.261619D+01  0.110121D+00 -0.315461D+01 -0.223178D+01
               186           187           188           189           190 
      1  -0.465480D+01 -0.799561D+01 -0.233895D+01  0.636952D+01  0.133142D+02
      2   0.371014D+01  0.575898D+01  0.254399D+01 -0.560254D+01 -0.474931D+01
      3   0.944660D+00  0.223663D+01 -0.205037D+00 -0.766977D+00 -0.856491D+01
      4  -0.863362D+01 -0.277204D+01 -0.630958D+01  0.454704D+01 -0.134602D+02
      5   0.806669D+01  0.126599D+02  0.615616D+01 -0.599172D+01 -0.130609D+02
      6   0.274202D+01  0.939178D+00  0.405876D+01 -0.211513D+01  0.598463D+01
               191           192           193           194           195 
      1  -0.788345D+01 -0.860097D+01 -0.117908D+02  0.441060D+01  0.379594D+00
      2   0.194044D+01  0.416744D+01  0.165093D+01  0.854051D+01  0.336488D+01
      3   0.594300D+01  0.443353D+01  0.101399D+02 -0.129511D+02 -0.374447D+01
      4   0.142048D+02  0.761109D+01  0.250815D+02 -0.332949D+02 -0.192784D+02
      5   0.708297D+01  0.108463D+02  0.131536D+02 -0.205101D+02 -0.217484D+02
      6  -0.432913D+01 -0.418948D+01 -0.892343D+01  0.165740D+02  0.150950D+02
               196           197           198           199           200 
      1  -0.934285D+01  0.251302D+00  0.176019D+01 -0.123047D+01  0.105661D+02
      2   0.548039D+01  0.110107D+01 -0.301080D+01  0.348018D+01 -0.145521D+02
      3   0.386245D+01 -0.135237D+01  0.125061D+01 -0.224971D+01  0.398598D+01
      4   0.113998D+02 -0.157892D+02 -0.165579D+02  0.153187D+01  0.352570D+01
      5   0.173788D+02 -0.175226D+02 -0.236890D+02  0.107135D+01 -0.139376D+00
      6  -0.771151D+01  0.133446D+02  0.145618D+02  0.214482D+01 -0.372900D+01
               201           202           203           204           205 
      1   0.245763D+01  0.295470D+01 -0.358228D+02 -0.776440D+01  0.170057D+01
      2  -0.336404D+01 -0.560452D+00  0.628448D+02  0.128007D+02 -0.881917D+00
      3   0.906404D+00 -0.239425D+01 -0.270219D+02 -0.503634D+01 -0.818651D+00
      4   0.144402D+01  0.723857D+01  0.227174D+02  0.365729D+01  0.333634D+01
      5   0.277155D+00  0.565278D-01  0.653119D+01  0.423644D+01  0.150756D+01
      6  -0.250767D+01 -0.285347D+00  0.164064D+02  0.103358D+02  0.583111D-01
               206           207           208           209           210 
      1  -0.158104D+02 -0.841372D+01 -0.127524D+02 -0.105478D+02  0.764803D+01
      2   0.246420D+02  0.106357D+02  0.821876D+01  0.676087D+01 -0.220284D+01
      3  -0.883154D+01 -0.222199D+01  0.453367D+01  0.378691D+01 -0.544519D+01
      4   0.942133D+01  0.382853D+01  0.193148D+00 -0.540913D+01  0.287468D+01
      5   0.583765D+01  0.267515D+01 -0.146944D+01  0.137482D+01 -0.640636D+01
      6   0.158486D+02  0.764099D+01 -0.306106D+01 -0.627254D+01  0.654038D+01
               211           212           213           214           215 
      1  -0.136791D+02 -0.149330D+02  0.806322D+01  0.626169D+01  0.660605D+01
      2   0.832153D+01  0.134227D+02 -0.583728D+01 -0.280299D+01 -0.364889D+01
      3   0.535757D+01  0.151028D+01 -0.222594D+01 -0.345870D+01 -0.295717D+01
      4   0.112915D+01 -0.116534D+02  0.705132D+01  0.341272D+00  0.543833D+01
      5  -0.137015D+01  0.561674D+01 -0.838062D+01  0.165460D+01 -0.338962D+01
      6  -0.311502D+01 -0.110078D+02  0.907711D+01  0.225145D+01  0.717058D+01
               216 
      1  -0.798230D+01
      2   0.161064D+01
      3   0.637166D+01
      4  -0.308089D+01
      5   0.757584D+01
      6  -0.705369D+01
 Leave Link  716 at Mon Sep 27 12:04:53 2021, MaxMem=  6442450944 cpu:               4.8 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.113169D+03  0.122054D+01 -0.182912D+01
      2   0.122054D+01  0.106023D+03  0.219935D+00
      3  -0.182912D+01  0.219935D+00  0.889215D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.189632D+01 -0.872412D+01 -0.130228D+01
      2   0.126365D+02 -0.346247D+01  0.146501D+02
      3   0.252305D+01 -0.748512D+01  0.171711D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.191888D+02 -0.138475D+02  0.136317D+02
      2  -0.226747D+02  0.112235D+02  0.988067D+01
      3   0.348594D+01  0.262395D+01 -0.235123D+02
      4  -0.159842D+02 -0.116349D+02 -0.112745D+02
      5  -0.989647D+01 -0.102494D+02  0.291539D+02
      6  -0.837659D+01 -0.118643D+02 -0.637192D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.394634D+01  0.347413D+00  0.164366D+00 -0.316771D+00  0.290625D+01
      2   0.347413D+00  0.367816D+01  0.277804D+00  0.290625D+01 -0.132016D+01
      3   0.164366D+00  0.277804D+00  0.101635D+01  0.582138D+00 -0.142728D+01
                 6             7             8             9            10 
      1   0.582138D+00 -0.416857D+00  0.516711D+00  0.142947D+01  0.485895D+01
      2  -0.142728D+01  0.516711D+00 -0.299098D+01 -0.138208D+01 -0.805540D+00
      3  -0.278277D+00  0.142947D+01 -0.138208D+01  0.844558D+01 -0.224226D-01
                11            12            13            14            15 
      1  -0.805540D+00 -0.224226D-01 -0.944075D+00 -0.280510D+01 -0.185934D+00
      2  -0.298396D+01 -0.145718D+00 -0.280510D+01 -0.626156D+00  0.827088D+00
      3  -0.145718D+00 -0.302094D+01 -0.185934D+00  0.827088D+00  0.187451D+01
                16            17            18            19            20 
      1   0.110096D+01 -0.395586D+00 -0.175006D+01  0.325522D+01 -0.273498D+00
      2  -0.395586D+00  0.197748D+01  0.100290D+01 -0.273498D+00 -0.294674D+01
      3  -0.175006D+01  0.100290D+01 -0.803230D+01 -0.380720D-01  0.489370D+00
                21            22            23            24            25 
      1  -0.380720D-01 -0.686527D+00 -0.399701D+01  0.197324D+00  0.780032D+00
      2   0.489370D+00 -0.399701D+01  0.911598D+00  0.158458D+01  0.680555D+00
      3  -0.938190D+00  0.197324D+00  0.158458D+01  0.169632D+01 -0.160127D+01
                26            27            28            29            30 
      1   0.680555D+00 -0.160127D+01 -0.163024D+01  0.241786D+01 -0.451115D+00
      2   0.246310D+01  0.121035D+01  0.241786D+01  0.287852D+01 -0.205694D+00
      3   0.121035D+01 -0.771772D+01 -0.451115D+00 -0.205694D+00  0.355896D+00
                31            32            33            34            35 
      1   0.246746D+01  0.407648D+01  0.924800D+00 -0.230546D+01  0.497901D+00
      2   0.407648D+01 -0.128480D+01 -0.185254D+01  0.497901D+00 -0.262213D+01
      3   0.924800D+00 -0.185254D+01 -0.194382D+01  0.503537D+00 -0.780318D+00
                36            37            38            39            40 
      1   0.503537D+00  0.553205D+01 -0.193466D+01 -0.277391D+00 -0.336840D+01
      2  -0.780318D+00 -0.193466D+01 -0.251531D+00 -0.287825D+00 -0.111875D+01
      3   0.753860D+01 -0.277391D+00 -0.287825D+00 -0.539599D+00 -0.336809D+00
                41            42            43            44            45 
      1  -0.111875D+01 -0.336809D+00  0.233946D+01  0.520225D+00  0.127587D+00
      2  -0.344370D+01  0.729633D+00  0.520225D+00  0.150147D+01 -0.320107D+00
      3   0.729633D+00  0.102306D+01  0.127587D+00 -0.320107D+00 -0.126064D+01
                46            47            48            49            50 
      1  -0.539808D+01 -0.507760D+00  0.272323D+00  0.127633D+01  0.270213D+01
      2  -0.507760D+00  0.975978D+00  0.498442D+00  0.270213D+01 -0.128179D+01
      3   0.272323D+00  0.498442D+00  0.168077D+01 -0.263005D+00 -0.119711D+01
                51            52            53            54            55 
      1  -0.263005D+00 -0.943780D+00 -0.829933D-01  0.178446D+01  0.559627D+01
      2  -0.119711D+01 -0.829933D-01 -0.210759D+01 -0.935637D+00 -0.415802D+00
      3  -0.268430D+01  0.178446D+01 -0.935637D+00  0.808325D+01  0.327109D+00
                56            57            58            59            60 
      1  -0.415802D+00  0.327109D+00  0.783375D+00 -0.143009D+01 -0.397043D+00
      2   0.704931D+00  0.302166D+00 -0.143009D+01  0.669427D+01  0.183741D+01
      3   0.302166D+00  0.625136D+00 -0.397043D+00  0.183741D+01  0.152541D+00
                61            62            63            64            65 
      1   0.131204D+01 -0.901174D+00 -0.667478D+00 -0.109310D+00  0.722652D-01
      2  -0.901174D+00  0.307345D+01  0.186952D+01  0.722652D-01 -0.926707D+00
      3  -0.667478D+00  0.186952D+01  0.469335D+00 -0.112309D+01  0.118718D+00
                66            67            68            69            70 
      1  -0.112309D+01  0.229705D+00 -0.741230D+00  0.115053D+00 -0.197647D+01
      2   0.118718D+00 -0.741230D+00  0.758223D+00 -0.103967D+01  0.332560D+00
      3  -0.849737D+00  0.115053D+00 -0.103967D+01  0.720470D+00 -0.100091D+01
                71            72            73            74            75 
      1   0.332560D+00 -0.100091D+01 -0.657477D+01  0.256724D+01 -0.214414D+00
      2  -0.176023D+01  0.103472D+01  0.256724D+01  0.109900D+01 -0.571330D+00
      3   0.103472D+01 -0.731606D+01 -0.214414D+00 -0.571330D+00  0.104914D+01
                76            77            78            79            80 
      1   0.549942D+01  0.728013D+00 -0.682151D+00 -0.277506D+01 -0.663342D+00
      2   0.728013D+00  0.366320D+01 -0.924375D+00 -0.663342D+00 -0.139287D+01
      3  -0.682151D+00 -0.924375D+00  0.681774D+00 -0.666048D+00  0.383517D+00
                81            82            83            84            85 
      1  -0.666048D+00 -0.689894D-01  0.413743D-01  0.111976D+01 -0.176781D+00
      2   0.383517D+00  0.413743D-01  0.626771D+00 -0.162103D-01  0.582673D+00
      3   0.158528D+00  0.111976D+01 -0.162103D-01  0.853054D+00 -0.489842D-01
                86            87            88            89            90 
      1   0.582673D+00 -0.489842D-01  0.195282D+01  0.106935D+00  0.151018D+00
      2  -0.437663D+00  0.890982D+00  0.106935D+00  0.150167D+01 -0.658209D+00
      3   0.890982D+00 -0.995213D+00  0.151018D+00 -0.658209D+00  0.783320D+01
                91            92            93            94            95 
      1   0.475574D+00 -0.271352D+00  0.112981D+01 -0.495790D-01  0.100621D+01
      2  -0.271352D+00  0.102701D+01  0.122563D-01  0.100621D+01 -0.317947D+00
      3   0.112981D+01  0.122563D-01  0.729597D+00  0.586089D-01  0.837003D+00
                96            97            98            99           100 
      1   0.586089D-01  0.217067D+01 -0.257422D+00  0.119383D+01  0.388565D+01
      2   0.837003D+00 -0.257422D+00  0.171763D+01 -0.918569D-01  0.193243D+01
      3  -0.832342D-01  0.119383D+01 -0.918569D-01  0.690261D+01 -0.114170D+01
               101           102           103           104           105 
      1   0.193243D+01 -0.114170D+01  0.810305D+00  0.351516D+01 -0.119375D+00
      2   0.445712D+01 -0.143007D+00  0.351516D+01 -0.123586D+01 -0.180402D+01
      3  -0.143007D+00  0.647087D+00 -0.119375D+00 -0.180402D+01 -0.104806D+01
               106           107           108           109           110 
      1  -0.172510D+01 -0.730327D+00  0.140741D+01  0.281259D+01 -0.227043D+01
      2  -0.730327D+00 -0.376925D+01  0.681740D+00 -0.227043D+01 -0.234930D+01
      3   0.140741D+01  0.681740D+00 -0.382861D+00  0.158021D+01 -0.224534D+00
               111           112           113           114           115 
      1   0.158021D+01 -0.172771D+01 -0.450871D+01 -0.773383D+00  0.312597D+01
      2  -0.224534D+00 -0.450871D+01  0.113298D+01  0.400539D+01 -0.101047D+01
      3  -0.601062D+00 -0.773383D+00  0.400539D+01  0.226249D+01 -0.355721D+01
               116           117           118           119           120 
      1  -0.101047D+01 -0.355721D+01  0.393946D+00 -0.148319D+00 -0.143438D+01
      2   0.406338D+01  0.291768D+01 -0.148319D+00 -0.445424D+00  0.827478D-01
      3   0.291768D+01 -0.481006D+00 -0.143438D+01  0.827478D-01 -0.182546D+00
               121           122           123           124           125 
      1  -0.138826D+00 -0.424568D+00 -0.239542D+00 -0.198732D+01 -0.286786D+00
      2  -0.424568D+00  0.609214D+00 -0.106339D+01 -0.286786D+00 -0.132284D+01
      3  -0.239542D+00 -0.106339D+01  0.526540D+00  0.540743D+00  0.425541D+00
               126           127           128           129           130 
      1   0.540743D+00 -0.250150D+01 -0.197169D+01  0.921052D+00 -0.154722D+01
      2   0.425541D+00 -0.197169D+01 -0.353879D+01 -0.141472D+00 -0.252414D+01
      3  -0.866160D+01  0.921052D+00 -0.141472D+00 -0.341844D+00 -0.432214D-01
               131           132           133           134           135 
      1  -0.252414D+01 -0.432214D-01  0.209398D+01  0.739150D+00 -0.107081D+01
      2   0.323685D+01  0.266485D+01  0.739150D+00  0.569401D+01 -0.116135D-01
      3   0.266485D+01  0.125772D+01 -0.107081D+01 -0.116135D-01  0.979591D+00
               136           137           138           139           140 
      1  -0.433348D+00 -0.614048D-01 -0.141261D+01 -0.245572D-01 -0.632634D+00
      2  -0.614048D-01 -0.303940D+00 -0.305299D+00 -0.632634D+00  0.126260D+00
      3  -0.141261D+01 -0.305299D+00 -0.936277D+00  0.813750D-01 -0.914356D+00
               141           142           143           144           145 
      1   0.813750D-01 -0.246203D+01 -0.579115D+00 -0.158917D+01 -0.786627D+01
      2  -0.914356D+00 -0.579115D+00 -0.145060D+01 -0.429719D+00  0.311180D+01
      3   0.495566D+00 -0.158917D+01 -0.429719D+00 -0.803946D+01  0.740632D+00
               146           147           148           149           150 
      1   0.311180D+01  0.740632D+00  0.160852D+01 -0.139202D+01 -0.148036D+00
      2  -0.336205D+01 -0.641334D+00 -0.139202D+01  0.151593D+01  0.242541D-01
      3  -0.641334D+00 -0.126397D+01 -0.148036D+00  0.242541D-01  0.471086D+00
               151           152           153           154           155 
      1  -0.111213D+00 -0.126796D-02 -0.736545D+00 -0.554334D+01 -0.249375D+01
      2  -0.126796D-02 -0.179363D+00  0.595349D+00 -0.249375D+01 -0.224675D+01
      3  -0.736545D+00  0.595349D+00  0.508740D+00  0.764827D+00  0.467366D+00
               156           157           158           159           160 
      1   0.764827D+00 -0.482989D+01 -0.275921D+01  0.673430D+00  0.173590D+01
      2   0.467366D+00 -0.275921D+01 -0.333350D+01  0.703948D+00  0.897877D+00
      3  -0.109512D+01  0.673430D+00  0.703948D+00 -0.928025D+00 -0.126919D+01
               161           162           163           164           165 
      1   0.897877D+00 -0.126919D+01 -0.623620D+00  0.729019D+00  0.330396D+00
      2   0.106128D+01 -0.607167D+00  0.729019D+00 -0.193158D+01 -0.743474D-01
      3  -0.607167D+00  0.552567D+00  0.330396D+00 -0.743474D-01 -0.290709D+00
               166           167           168           169           170 
      1   0.162481D+01  0.110626D+00 -0.186138D+00  0.673568D+00  0.194419D-01
      2   0.110626D+00  0.857505D+01  0.749775D+00  0.194419D-01  0.208529D+01
      3  -0.186138D+00  0.749775D+00  0.138061D+01 -0.298251D-01  0.112428D+01
               171           172           173           174           175 
      1  -0.298251D-01  0.363773D+01  0.840885D+00  0.166232D+01  0.186563D+01
      2   0.112428D+01  0.840885D+00  0.193501D+01 -0.110060D+01  0.190753D+01
      3   0.216279D+00  0.166232D+01 -0.110060D+01  0.228880D+01 -0.542377D+00
               176           177           178           179           180 
      1   0.190753D+01 -0.542377D+00  0.131517D+01 -0.666245D+00  0.362895D+01
      2   0.176469D+01  0.418063D-01 -0.666245D+00 -0.773731D+00 -0.100401D+01
      3   0.418063D-01  0.135462D+01  0.362895D+01 -0.100401D+01  0.337865D+01
               181           182           183           184           185 
      1   0.444751D+01  0.234123D+01 -0.113791D+01  0.408522D+01  0.247552D+01
      2   0.234123D+01  0.196238D+01 -0.384646D+00  0.247552D+01  0.346099D+01
      3  -0.113791D+01 -0.384646D+00  0.105809D+01 -0.609687D+00 -0.139230D+01
               186           187           188           189           190 
      1  -0.609687D+00 -0.152946D+01 -0.410942D+00  0.144231D+01  0.216212D+01
      2  -0.139230D+01 -0.410942D+00 -0.106724D+01  0.747220D+00 -0.150347D+01
      3   0.106578D+01  0.144231D+01  0.747220D+00 -0.748284D+00 -0.162490D+01
               191           192           193           194           195 
      1  -0.150347D+01 -0.162490D+01 -0.301570D+01  0.333960D+01  0.152965D+01
      2   0.146723D+01  0.704532D+00  0.333960D+01 -0.531075D+01 -0.304458D+01
      3   0.704532D+00  0.107481D+01  0.152965D+01 -0.304458D+01 -0.325583D+01
               196           197           198           199           200 
      1  -0.242006D+01  0.147611D+01  0.206405D+01 -0.238005D+00 -0.806260D+00
      2   0.147611D+01 -0.261866D+01 -0.263917D+01 -0.806260D+00  0.205120D+01
      3   0.206405D+01 -0.263917D+01 -0.364478D+01 -0.342053D+00  0.391831D+00
               201           202           203           204           205 
      1  -0.342053D+00 -0.124783D+01 -0.300580D+00  0.139668D+00 -0.724075D+00
      2   0.391831D+00 -0.300580D+00 -0.106729D+02 -0.192329D+01 -0.122412D+00
      3   0.242570D+00  0.139668D+00 -0.192329D+01 -0.163877D+01 -0.395022D-01
               206           207           208           209           210 
      1  -0.122412D+00 -0.395022D-01 -0.212382D+01 -0.937590D+00  0.207251D+00
      2  -0.460892D+01 -0.205425D+01 -0.937590D+00 -0.157653D+01  0.896783D+00
      3  -0.205425D+01 -0.104961D+01  0.207251D+00  0.896783D+00 -0.156130D+01
               211           212           213           214           215 
      1  -0.217690D+01 -0.716153D+00  0.273634D+00  0.776324D+00  0.320620D+00
      2  -0.716153D+00 -0.318404D+01  0.168618D+01  0.320620D+00  0.152565D+01
      3   0.273634D+00  0.168618D+01 -0.210757D+01 -0.295354D+00 -0.107869D+01
               216 
      1  -0.295354D+00
      2  -0.107869D+01
      3   0.226738D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.728679D-01  0.371505D+00 -0.236659D+01 -0.906936D+00  0.671216D+00
      2  -0.267662D+00 -0.287159D+00 -0.701087D+00  0.750552D+00  0.185055D+01
      3  -0.264337D+01  0.207203D+00 -0.124907D+00  0.480097D+01  0.198763D+01
                 6             7             8             9            10 
      1   0.145972D+01 -0.132340D+01  0.429019D+01 -0.809348D+01 -0.546704D+00
      2   0.116642D+01 -0.418874D+01  0.410228D+00 -0.566801D+01 -0.201050D+01
      3  -0.298401D+00  0.914918D-01 -0.220525D+01  0.422577D+00 -0.255842D+01
                11            12            13            14            15 
      1  -0.166763D+01 -0.634579D+00  0.322530D+00  0.438228D+00 -0.163571D+01
      2  -0.981162D+00  0.305416D+01 -0.314591D+00 -0.150904D+01 -0.329455D+01
      3  -0.579395D+01  0.143284D-01  0.151373D+00 -0.282140D-03  0.164309D+01
                16            17            18            19            20 
      1  -0.114706D+01  0.469556D+01 -0.144775D+01  0.857135D-01 -0.409756D+00
      2  -0.912031D+00 -0.148491D+01  0.114503D+02 -0.347607D+00  0.932382D+00
      3  -0.596710D+00  0.273730D+01  0.221294D+01  0.337611D+01 -0.687175D+00
                21            22            23            24            25 
      1   0.286102D+01 -0.332742D+00 -0.214499D+01 -0.207410D+01  0.268740D+01
      2   0.934700D+00 -0.108587D+01  0.852243D+00 -0.434504D+00 -0.494843D+01
      3  -0.443613D+00  0.465586D+01 -0.546595D+01 -0.247373D+01 -0.533955D-01
                26            27            28            29            30 
      1   0.194649D+01  0.698493D+01 -0.241636D+01 -0.937901D+00  0.104884D+01
      2   0.644503D+00 -0.359410D+01 -0.673492D+01  0.378219D+01 -0.157404D+01
      3  -0.117544D+01 -0.299642D+01 -0.746684D+01 -0.920691D+01 -0.561598D+00
                31            32            33            34            35 
      1  -0.797795D+00  0.164110D+00  0.252244D+01  0.260988D+00  0.411995D+01
      2   0.245423D+01 -0.133634D+01 -0.424163D+01 -0.485353D+01  0.213279D+00
      3  -0.662691D+01  0.143559D+01  0.358321D+01  0.234501D+00  0.351990D+01
                36            37            38            39            40 
      1  -0.596784D+00  0.167632D+01  0.156598D+00 -0.200433D+01  0.143692D+01
      2   0.120110D+02  0.363292D+01 -0.863953D+00  0.103437D+02 -0.193257D+01
      3   0.194292D+01 -0.784016D+01 -0.399929D+01  0.966404D-01  0.157891D+02
                41            42            43            44            45 
      1   0.260258D+01 -0.607368D+01  0.208128D+01  0.253569D+01  0.415129D+00
      2  -0.117558D+01  0.200244D+01 -0.505850D+01 -0.136606D+01  0.565458D-01
      3   0.566166D+01 -0.278691D+00 -0.287956D+01 -0.140455D+01 -0.278433D+00
                46            47            48            49            50 
      1   0.582415D+00 -0.931286D+00  0.265599D+01 -0.891843D+00 -0.392714D+01
      2  -0.343609D+01 -0.128019D+01 -0.698742D+01  0.171589D-01  0.245971D+01
      3   0.642068D+01  0.420959D+01 -0.185380D+00  0.196237D+01 -0.197578D+01
                51            52            53            54            55 
      1  -0.727782D+00  0.179358D+00  0.891137D+00  0.901631D+01 -0.850958D+00
      2   0.232627D+01 -0.683833D+01 -0.614144D+00 -0.100360D+02 -0.609427D+01
      3  -0.200046D+01  0.904220D+00 -0.142594D+01 -0.354271D+01  0.180528D+02
                56            57            58            59            60 
      1   0.396738D+00 -0.518624D+00  0.191653D+01 -0.248362D+01 -0.642433D+01
      2   0.273830D+01  0.179615D+01  0.715668D+00 -0.271123D+01 -0.173433D+01
      3  -0.353705D+01 -0.427090D+00  0.552567D+01  0.675330D+01  0.815467D+00
                61            62            63            64            65 
      1   0.503588D+00  0.941979D+00 -0.261256D+01  0.115085D+01  0.289566D+00
      2  -0.342860D+01 -0.146137D+01 -0.120756D+01  0.102231D+01 -0.491408D+00
      3   0.315988D+01  0.289907D+01  0.101429D+01 -0.269992D-01 -0.187134D+01
                66            67            68            69            70 
      1   0.743801D+00 -0.123267D-01  0.140029D+01 -0.134221D+01  0.840317D+00
      2   0.202650D+01 -0.209097D-01  0.444611D+00 -0.211562D+00 -0.311284D+01
      3  -0.961545D+00  0.846218D+00 -0.317507D+00 -0.763916D+00 -0.262406D+01
                71            72            73            74            75 
      1   0.339249D+01  0.920344D+01  0.614738D+00 -0.196711D+00  0.633964D+00
      2  -0.424667D+00  0.649486D+01  0.480720D+01  0.249120D+01  0.438915D+01
      3  -0.163524D+01 -0.124541D+00  0.110431D+02 -0.218614D+01 -0.264102D+01
                76            77            78            79            80 
      1  -0.138096D+01  0.109631D+01 -0.171608D+01  0.988282D+00  0.263695D+01
      2   0.218648D+01  0.281180D+01 -0.346974D+01 -0.244805D+01 -0.163168D+01
      3   0.835934D+01  0.169708D+02 -0.285559D+01 -0.242085D+01 -0.570360D+01
                81            82            83            84            85 
      1  -0.221444D-01  0.262465D+00  0.893197D+00  0.278932D+00  0.595561D+00
      2   0.197531D+01 -0.295034D+01  0.868329D-01 -0.114139D+01  0.592622D+00
      3   0.124401D+01  0.451035D-01 -0.416342D-01 -0.250272D+00  0.180011D+01
                86            87            88            89            90 
      1  -0.256257D+00 -0.156562D+01  0.203943D+00  0.355709D+01  0.104549D+01
      2  -0.151401D+01  0.146383D+01 -0.473959D+01  0.796658D+00 -0.116959D+02
      3  -0.587527D+00  0.124075D+01 -0.457050D+00  0.208329D+01 -0.512999D+00
                91            92            93            94            95 
      1  -0.190972D+01  0.901147D+00 -0.108879D+01  0.465430D+00 -0.143463D+01
      2   0.847296D-01  0.698476D+00  0.543628D+00  0.114369D+01 -0.716054D-01
      3   0.122993D+01 -0.215356D+01  0.124679D+01  0.219381D+00  0.995796D+00
                96            97            98            99           100 
      1  -0.171829D+00 -0.203886D+01  0.406259D+01 -0.769331D+01  0.216211D+01
      2   0.243961D+00 -0.364682D+01  0.371258D+00  0.401009D+01 -0.266705D+00
      3  -0.522001D+00  0.262395D+01 -0.189903D+01  0.136530D+01  0.809733D+01
               101           102           103           104           105 
      1  -0.194688D+01 -0.376206D+01 -0.512858D+00  0.769334D+01 -0.130246D+01
      2  -0.451634D+00  0.457818D+01  0.888282D+00 -0.119431D+01  0.114226D+01
      3  -0.103088D+02 -0.225961D+01 -0.154225D+00  0.109245D+02  0.294333D+01
               106           107           108           109           110 
      1  -0.240266D+01  0.497326D+01  0.313196D+01  0.335805D+01  0.105941D+01
      2  -0.110752D+01  0.584979D+00 -0.120778D+01  0.985756D+01 -0.366804D+01
      3  -0.488119D+01  0.517919D+01  0.202587D+01  0.687803D+01  0.790145D+01
               111           112           113           114           115 
      1  -0.896719D+00  0.145249D+01  0.157848D+01 -0.325823D+01 -0.121553D+01
      2   0.127433D+01 -0.440265D+01  0.940520D+01  0.701739D+01 -0.892057D+01
      3  -0.238377D+00  0.188718D+02 -0.744685D+00 -0.104905D+02  0.880912D+00
               116           117           118           119           120 
      1  -0.248396D+01 -0.221805D+01  0.146773D-01  0.101548D+01  0.428672D+00
      2   0.739732D+01 -0.401258D+01 -0.246426D+01 -0.234335D+00  0.109251D+00
      3  -0.103485D+02 -0.641374D+01  0.241019D+00  0.532907D-01  0.272791D+00
               121           122           123           124           125 
      1   0.272912D+00 -0.141154D+01 -0.243643D+00  0.179902D+00  0.465711D+01
      2  -0.665632D-01 -0.212647D+01  0.831330D+00 -0.573796D+01  0.466647D+00
      3   0.246910D+01 -0.162702D+01  0.166685D+01  0.622821D+00  0.226878D+01
               126           127           128           129           130 
      1  -0.103729D+01  0.141093D+01 -0.268961D+00 -0.344951D+01  0.100685D+01
      2  -0.126475D+02 -0.256449D+01 -0.315285D+00  0.448137D+01  0.363078D+00
      3  -0.183921D+01  0.558879D+01 -0.741141D+01 -0.245326D+01  0.406314D+01
               131           132           133           134           135 
      1   0.129742D+02 -0.201462D+01 -0.155752D+01  0.619755D+01  0.530881D+01
      2  -0.435160D+01  0.518699D+00 -0.349647D+00  0.781769D-01 -0.240012D+01
      3   0.110675D+02  0.469745D+01 -0.590748D+01  0.875126D+01  0.312209D+01
               136           137           138           139           140 
      1  -0.184610D+01  0.141827D+00 -0.105565D+01  0.628587D+00 -0.157544D+01
      2   0.133260D+01  0.686487D+00  0.180974D+01  0.796991D+00  0.735338D+00
      3   0.965357D+00 -0.180387D+01  0.171095D+01  0.693523D-01  0.166681D+01
               141           142           143           144           145 
      1   0.554500D+00 -0.809177D+00  0.522826D+01 -0.895834D+01 -0.357601D+00
      2  -0.117480D+01 -0.327486D+01 -0.175378D+00  0.984780D+01  0.494745D+01
      3  -0.100891D+01  0.332456D+01 -0.168282D+01  0.272168D+01 -0.197126D+02
               146           147           148           149           150 
      1  -0.295269D+00  0.314006D+01 -0.967525D-01  0.259428D+00 -0.859761D+00
      2  -0.128379D+01  0.290493D+01 -0.835554D+00  0.766350D+00 -0.838680D+00
      3   0.257938D+00  0.985964D+00  0.219361D+01 -0.233969D+01 -0.647959D+00
               151           152           153           154           155 
      1   0.153365D+01 -0.454876D+00 -0.895971D+00  0.596693D-01  0.397331D-01
      2   0.539602D+00 -0.940127D+00 -0.424577D+00 -0.249176D+01 -0.168260D+01
      3  -0.815912D+00 -0.532480D+00 -0.675288D+00 -0.850701D+01 -0.879453D+01
               156           157           158           159           160 
      1  -0.850023D+00  0.532965D+00 -0.859715D+00 -0.107959D+01 -0.342658D+00
      2   0.392565D+01 -0.249692D+01 -0.258744D+01  0.393330D+01  0.274236D+01
      3   0.184652D+01 -0.832124D+01 -0.145440D+02  0.255285D+01  0.332918D+01
               161           162           163           164           165 
      1   0.816085D+00  0.407184D+00 -0.166085D+01  0.194794D+01  0.165043D+01
      2   0.188441D+01 -0.152304D+01  0.243280D+00  0.871506D-01 -0.596118D+00
      3   0.426743D+01 -0.169649D+01 -0.512446D+01  0.528445D+01  0.177025D+01
               166           167           168           169           170 
      1   0.102779D+01 -0.729422D+01 -0.536934D+01  0.415756D+00 -0.330577D+01
      2  -0.757214D-01  0.732890D+00  0.122179D+01 -0.112799D+01  0.118460D+01
      3   0.652622D+01 -0.147893D+02 -0.226618D+01  0.301925D+01 -0.408005D+01
               171           172           173           174           175 
      1  -0.152458D+01  0.270739D+01  0.302091D+01  0.174644D+01  0.139459D+01
      2   0.320821D+00 -0.592662D+00 -0.609271D+01  0.121934D+02 -0.454995D+01
      3  -0.184264D+01 -0.837014D+01 -0.101293D+02  0.274062D+01 -0.669311D+01
               176           177           178           179           180 
      1   0.381771D+01 -0.382234D+01  0.425133D+00  0.453131D+01  0.495118D+01
      2  -0.247827D+01  0.414434D+01  0.492003D+01 -0.458118D+00  0.120879D+02
      3  -0.594953D+01  0.404652D+00  0.158991D+01  0.140178D+01  0.697820D-01
               181           182           183           184           185 
      1  -0.206430D+01 -0.160540D+01 -0.471837D+00 -0.184875D+01 -0.320786D+01
      2  -0.781951D+00  0.303417D-01  0.385317D+01  0.110874D+01 -0.289757D+01
      3  -0.840257D+01 -0.851775D+01  0.180362D+01 -0.727775D+01 -0.143331D+02
               186           187           188           189           190 
      1  -0.852558D-01  0.331972D+00  0.231483D+01 -0.625463D+00  0.141927D+00
      2   0.404224D+01  0.197409D+01  0.199660D+01 -0.108180D+01 -0.320541D+01
      3   0.460695D+01  0.156727D+01  0.391530D+01 -0.276598D+01  0.247336D+01
               191           192           193           194           195 
      1  -0.110745D+01  0.870795D+00 -0.136939D+01  0.320792D+01 -0.260644D+01
      2   0.137615D+01  0.290975D+01  0.117110D+01 -0.649244D+01 -0.975356D+01
      3  -0.477710D+01 -0.116082D+01 -0.461225D+01  0.136894D+02  0.755948D+01
               196           197           198           199           200 
      1   0.440165D+00  0.156541D+01 -0.169379D+01 -0.336860D+00  0.207876D+01
      2   0.223177D+01 -0.662537D+01 -0.952724D+01  0.850213D+00 -0.130212D+00
      3  -0.158586D+01  0.693731D+01  0.627407D+01 -0.228791D+01  0.418727D+01
               201           202           203           204           205 
      1   0.166506D+01  0.342333D+00 -0.830866D+01 -0.636452D+01  0.154036D+00
      2  -0.150076D+00 -0.770247D+00  0.261039D+01  0.210236D+01 -0.103176D+01
      3   0.145983D+01  0.461931D+01 -0.170711D+02 -0.393742D+01  0.254097D+01
               206           207           208           209           210 
      1  -0.626506D+01 -0.337449D+01 -0.231067D+01 -0.294557D+01 -0.625286D+00
      2   0.267534D+01  0.123935D+01  0.651634D+01  0.496191D+01 -0.551716D+01
      3  -0.753947D+01 -0.351330D+01  0.791695D+01  0.610659D+01 -0.235168D+01
               211           212           213           214           215 
      1  -0.233108D+01 -0.310865D+01 -0.259594D+00  0.222986D+00  0.216768D+01
      2   0.436297D+01  0.777679D+01 -0.700329D+01 -0.326653D+01 -0.413156D+01
      3   0.734705D+01  0.920201D+01 -0.508513D+01 -0.166684D+01 -0.432821D+01
               216 
      1   0.440454D+00
      2   0.644706D+01
      3   0.378623D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.773985D+01 -0.503022D+01 -0.115504D+01 -0.469244D+01  0.630834D+01
      2  -0.364012D+01  0.813444D+01  0.345734D+00  0.686143D+01 -0.147908D+02
      3  -0.409974D+01 -0.310423D+01  0.809307D+00 -0.216899D+01  0.848246D+01
      4  -0.133116D+01 -0.624144D+01 -0.205546D+00 -0.987473D+01  0.743951D+01
      5   0.118216D+01 -0.194079D+01 -0.392093D+01 -0.369174D+01  0.140153D+01
      6   0.133274D+01  0.226978D+01  0.551738D+01  0.295596D+01 -0.762890D+01
                 6             7             8             9            10 
      1   0.377807D+01  0.114791D+01  0.423024D+01  0.514155D+01 -0.281909D+02
      2  -0.183471D+01  0.340275D+01 -0.106550D+02  0.294787D+01  0.153615D+02
      3  -0.194336D+01 -0.455066D+01  0.642474D+01 -0.808941D+01  0.128294D+02
      4   0.222723D+01 -0.180191D+01  0.711112D+01  0.566956D+01  0.424837D+01
      5   0.303869D+01 -0.260496D+01  0.364887D+01 -0.176588D+02 -0.442289D+00
      6  -0.808198D+01  0.501750D+01 -0.456268D+01  0.217795D+02 -0.458208D+00
                11            12            13            14            15 
      1  -0.220376D+01  0.199883D+01  0.292451D+01  0.778712D+01  0.109413D+00
      2   0.505513D+01  0.134572D+01 -0.142389D+01 -0.179955D+01 -0.330803D+00
      3  -0.285137D+01 -0.334454D+01 -0.150062D+01 -0.598757D+01  0.221390D+00
      4   0.138502D+01  0.166833D+00  0.818432D+01  0.130740D+01 -0.215638D+01
      5  -0.242604D+00  0.122718D+01  0.834710D+00 -0.123742D+01 -0.581348D+01
      6   0.869751D+00  0.248457D+01 -0.108424D+01 -0.115400D+00 -0.491681D+00
                16            17            18            19            20 
      1  -0.479004D+01  0.257407D+01  0.136491D+02 -0.386536D+01  0.469540D+01
      2   0.293347D+01 -0.653481D+01  0.172463D+01  0.117003D+01 -0.973173D+01
      3   0.185657D+01  0.396074D+01 -0.153738D+02  0.269532D+01  0.503633D+01
      4   0.227574D+01 -0.332184D+01 -0.283418D+01 -0.215911D+01 -0.807408D+01
      5   0.749427D+01 -0.307637D+01  0.244349D+02  0.136473D+01  0.331651D+01
      6   0.805298D+00  0.763102D+00  0.594262D+01 -0.949464D-01  0.393069D+01
                21            22            23            24            25 
      1  -0.211416D+01  0.311072D+01 -0.289359D+01 -0.297343D+01  0.147713D+01
      2   0.140978D+00 -0.779432D+01 -0.306849D+00  0.338997D+01  0.375013D+01
      3   0.197318D+01  0.468360D+01  0.320044D+01 -0.416544D+00 -0.522725D+01
      4   0.142067D+01 -0.118285D+02 -0.660553D+01  0.158308D+01  0.363966D+01
      5  -0.443407D+01  0.146209D+01  0.361509D+01 -0.170625D+00 -0.151385D+01
      6  -0.587780D+01  0.286405D+01  0.486642D+01 -0.221156D+01 -0.411968D+01
                26            27            28            29            30 
      1  -0.107835D+01 -0.252878D+01 -0.158378D+02  0.781463D+01 -0.342718D+00
      2   0.501894D+01  0.568643D+01  0.757437D+01 -0.915478D+01  0.141593D+01
      3  -0.394059D+01 -0.315765D+01  0.826342D+01  0.134015D+01 -0.107321D+01
      4   0.658080D+01 -0.111406D+01 -0.104583D+01 -0.238689D+01 -0.789722D+00
      5   0.797423D+00 -0.106483D+02 -0.173124D+01 -0.146298D+01 -0.273405D+01
      6   0.181202D+01 -0.171856D+02 -0.418534D+00 -0.264456D+01 -0.550184D+00
                31            32            33            34            35 
      1   0.451200D+01  0.115924D+02 -0.376366D+01 -0.599896D+01 -0.168003D+00
      2  -0.341829D+01 -0.118387D+02 -0.388494D+01  0.307220D+01 -0.816598D+00
      3  -0.109371D+01  0.246255D+00  0.764860D+01  0.292676D+01  0.984601D+00
      4  -0.313016D+01 -0.886476D+01 -0.546622D+01  0.453630D+01 -0.236009D+01
      5   0.191200D+01 -0.802758D+01 -0.866400D+01  0.489224D+00 -0.277730D+01
      6  -0.477202D+01  0.384087D+01 -0.108361D+01 -0.177101D+01  0.156515D+01
                36            37            38            39            40 
      1   0.178705D+02  0.130432D+02 -0.268372D+01  0.136282D+01 -0.122504D+01
      2   0.132015D+02 -0.757341D+01  0.297347D+01 -0.168060D+01  0.226301D+01
      3  -0.310720D+02 -0.546977D+01 -0.289753D+00  0.317779D+00 -0.103796D+01
      4  -0.343362D+01 -0.804500D+01  0.144406D+02  0.513575D-01  0.135882D+02
      5   0.201236D+02  0.219288D+01  0.669107D+00  0.167475D+02 -0.183868D+01
      6   0.436080D-01  0.139637D+01  0.849070D+00  0.513973D+01  0.142573D+01
                41            42            43            44            45 
      1  -0.122518D+02  0.347006D+01  0.337938D+01  0.221644D+01 -0.466682D+01
      2   0.177724D+02  0.190698D+01 -0.435243D+01 -0.290244D+01 -0.340953D+01
      3  -0.552062D+01 -0.537704D+01  0.973047D+00  0.686000D+00  0.807634D+01
      4   0.156112D+00  0.950146D+00 -0.550989D+01 -0.825037D+00 -0.168381D+01
      5   0.196275D+01  0.295817D+01  0.517135D+01 -0.137243D+01  0.143658D+01
      6  -0.673446D+00  0.550990D+01 -0.128349D+01  0.462196D+01  0.745591D+00
                46            47            48            49            50 
      1  -0.117071D+02  0.605793D+01  0.191150D+01 -0.279504D+01 -0.449480D+01
      2   0.955105D+01 -0.777643D+01  0.171178D+01 -0.507727D+01 -0.154056D+01
      3   0.215608D+01  0.171850D+01 -0.362328D+01  0.787231D+01  0.603536D+01
      4   0.610682D+01 -0.145860D+02 -0.172909D+01 -0.157945D+02 -0.923117D+01
      5   0.116599D+01 -0.242184D+00 -0.165405D+02  0.225421D+01  0.177625D+01
      6  -0.555287D+00  0.166508D+01 -0.916533D+01  0.373649D+00  0.603736D+01
                51            52            53            54            55 
      1  -0.465605D+01  0.413766D+01 -0.431312D+01  0.457993D+01 -0.151313D+02
      2  -0.102190D+01  0.378719D+01  0.781747D+01  0.159953D+02  0.583505D+01
      3   0.567795D+01 -0.792485D+01 -0.350436D+01 -0.205752D+02  0.929627D+01
      4   0.255941D+01  0.249088D+01  0.606407D+01 -0.395116D+00  0.237125D+02
      5   0.346070D+01 -0.630122D+01  0.749083D+00 -0.214727D+02  0.159923D+01
      6  -0.155809D+01 -0.391398D+01  0.217118D+01 -0.211889D+02  0.198583D+01
                56            57            58            59            60 
      1   0.319153D+01 -0.577270D+00  0.356598D+01 -0.254490D+02 -0.792894D+01
      2  -0.968572D+00  0.152257D+01 -0.613889D+01  0.418681D+02  0.574590D+01
      3  -0.222295D+01 -0.945301D+00  0.257291D+01 -0.164191D+02  0.218304D+01
      4   0.384405D+00  0.509171D+00  0.100808D+02 -0.198329D+02 -0.503414D+01
      5  -0.560909D+00  0.356359D+01  0.221690D+01 -0.367505D+01 -0.217577D+01
      6  -0.571192D-02  0.472537D+00 -0.282055D+01  0.132915D+02  0.123617D+02
                61            62            63            64            65 
      1  -0.493015D+00 -0.100570D+02 -0.851707D+01  0.102994D+01  0.533000D+00
      2  -0.164745D+01  0.134008D+02  0.375642D+01 -0.312644D+01 -0.138218D+01
      3   0.214046D+01 -0.334385D+01  0.476065D+01  0.209650D+01  0.849183D+00
      4   0.652270D+01 -0.939958D+01 -0.541890D+01 -0.155434D+01  0.383053D+01
      5   0.510416D+01 -0.525691D+01 -0.306533D+01  0.424993D+01 -0.126411D+01
      6  -0.371522D+01  0.151597D+02  0.750181D+01 -0.349998D+01  0.295982D+00
                66            67            68            69            70 
      1   0.216750D+01  0.100624D+01 -0.380740D+01  0.292494D+01  0.136351D+01
      2  -0.251967D+01 -0.169523D+01  0.299579D+01 -0.295384D+01 -0.275649D+01
      3   0.352173D+00  0.688988D+00  0.811608D+00  0.289003D-01  0.139298D+01
      4  -0.313174D+01  0.316958D+01 -0.271328D+01  0.264157D+01 -0.468197D+01
      5   0.861345D+01 -0.794518D-01  0.255772D+01 -0.138645D+01  0.619505D+01
      6  -0.217073D+01  0.115883D+01 -0.417586D+01  0.800396D+01 -0.364064D+01
                71            72            73            74            75 
      1   0.441019D+01 -0.120339D+02  0.461257D+02 -0.157016D+02  0.311076D+01
      2  -0.357552D+01 -0.113275D+02 -0.280064D+02  0.751325D+01 -0.189897D+01
      3  -0.834672D+00  0.233614D+02 -0.181192D+02  0.818830D+01 -0.121179D+01
      4   0.397039D+01 -0.396615D+01 -0.192645D+02  0.137628D+01  0.315444D+01
      5  -0.270987D+01  0.182687D+02  0.551156D+01  0.428162D+01  0.813179D+01
      6   0.681802D+01 -0.233722D+02  0.524548D+00  0.144929D+00 -0.193087D+01
                76            77            78            79            80 
      1  -0.323088D+02 -0.895112D+01  0.390848D+01  0.170332D+02  0.381651D+01
      2   0.177928D+02  0.763723D+01 -0.179230D+01 -0.925621D+01 -0.171074D+01
      3   0.145160D+02  0.131389D+01 -0.211618D+01 -0.777702D+01 -0.210578D+01
      4  -0.401892D+01 -0.212514D+02  0.584928D+01  0.333020D+01  0.749952D+01
      5   0.475834D+01  0.704924D+01 -0.541349D+01  0.906182D+01 -0.327233D+01
      6   0.188731D+01  0.181238D+01  0.355299D+01 -0.106624D+01  0.187658D+01
                81            82            83            84            85 
      1   0.232544D+01  0.304484D+00  0.194284D+00 -0.567799D+01  0.776835D+00
      2  -0.465764D+01 -0.323066D+01  0.758013D-01  0.712830D+00 -0.412373D+00
      3   0.233220D+01  0.292618D+01 -0.270085D+00  0.496516D+01 -0.364461D+00
      4  -0.306601D+01 -0.260188D+00  0.123149D+00 -0.287185D+00  0.228013D+00
      5   0.211515D+01 -0.223312D+01 -0.319901D+00  0.319053D+01 -0.559043D-01
      6   0.268292D+00 -0.777393D+00  0.437235D+00 -0.724520D+00  0.277625D-01
                86            87            88            89            90 
      1  -0.470508D+01  0.174723D+01 -0.737582D+01  0.165374D+01 -0.176561D+02
      2   0.475503D+00 -0.242270D+00  0.329039D+01  0.601352D+00 -0.138448D+02
      3   0.422957D+01 -0.150496D+01  0.408542D+01 -0.225509D+01  0.315009D+02
      4   0.129420D+01 -0.222658D+01 -0.918455D+00 -0.388891D+01  0.171670D+01
      5  -0.247112D+01  0.244780D+01  0.341753D+01  0.216713D+01 -0.218369D+02
      6  -0.168524D+01  0.785952D+01 -0.192974D+00  0.385660D+01 -0.523130D+01
                91            92            93            94            95 
      1   0.232374D+01 -0.200809D+01  0.205958D+01 -0.189845D+01 -0.618990D+00
      2  -0.363490D+01  0.279440D+01 -0.133776D+01  0.238101D+01 -0.114109D+01
      3   0.131117D+01 -0.786302D+00 -0.721819D+00 -0.482557D+00  0.176008D+01
      4   0.410625D+00  0.309437D+01  0.127894D+01  0.352494D+01  0.621717D+00
      5   0.350111D+01 -0.579386D+00  0.576700D+01 -0.166162D+00  0.216087D+01
      6   0.205580D+01 -0.321820D-01  0.189172D+01  0.642769D+00  0.135541D+01
                96            97            98            99           100 
      1  -0.115133D+01  0.180292D+01 -0.312927D+01 -0.856013D+01  0.120865D+02
      2   0.185121D+01 -0.381906D+01  0.475088D+01 -0.128105D+02 -0.226045D+01
      3  -0.699884D+00  0.201614D+01 -0.162161D+01  0.213706D+02 -0.982607D+01
      4   0.247163D+01  0.251416D+01  0.321087D+01  0.936466D+00  0.196328D+02
      5   0.344705D+00  0.561559D+01 -0.377690D+00  0.133871D+02 -0.453921D+01
      6   0.445600D+01  0.244649D+01  0.273895D+01  0.152637D+02 -0.593707D+01
               101           102           103           104           105 
      1  -0.899541D+01 -0.325850D+00 -0.330773D+01  0.993967D+01  0.593803D+01
      2   0.207185D+02  0.252905D+01  0.116875D+02 -0.106526D+02 -0.873675D+01
      3  -0.117231D+02 -0.220320D+01 -0.837974D+01  0.712940D+00  0.279872D+01
      4   0.223858D+02 -0.406766D+01  0.191158D+02  0.119177D+02 -0.432983D+01
      5  -0.146849D+01  0.861679D+01 -0.111105D+01 -0.734784D+01  0.128261D+01
      6  -0.356310D+01  0.647655D+01 -0.267819D+01 -0.108473D+02  0.660603D+01
               106           107           108           109           110 
      1  -0.200622D+01  0.109442D+02 -0.965398D+00  0.115533D+02 -0.146669D+02
      2   0.312251D+00 -0.173127D+02 -0.193765D+01 -0.810681D+01  0.110314D+02
      3   0.169397D+01  0.636851D+01  0.290305D+01 -0.344653D+01  0.363552D+01
      4  -0.780431D+01 -0.110226D+02  0.612578D+01 -0.125929D+02 -0.142142D+02
      5   0.772749D+01  0.356558D+01 -0.348314D+01  0.744921D+01 -0.374440D-01
      6   0.784090D+01  0.884856D+01 -0.701068D+01 -0.175759D+01  0.563414D+01
               111           112           113           114           115 
      1   0.774539D+01 -0.151563D+02 -0.202229D+02  0.297782D+01  0.102277D+02
      2  -0.116189D+01  0.109185D+02  0.737249D+01 -0.652866D+01 -0.386785D+01
      3  -0.658351D+01  0.423777D+01  0.128504D+02  0.355084D+01 -0.635983D+01
      4  -0.207151D+01 -0.256756D+02  0.838544D+01  0.237363D+02 -0.303146D+01
      5  -0.819643D+01 -0.161450D+01  0.269820D+02  0.166347D+02 -0.298086D+02
      6   0.325898D+01  0.101343D+02 -0.102109D+02 -0.106876D+02  0.997992D+01
               116           117           118           119           120 
      1   0.312813D+01 -0.130424D+02  0.131692D+01 -0.942811D-01 -0.451740D+01
      2  -0.280247D+01  0.492413D+01 -0.467989D+01  0.101234D+00  0.125037D+01
      3  -0.325665D+00  0.811824D+01  0.336298D+01 -0.695283D-02  0.326703D+01
      4   0.189105D+02  0.192915D+02 -0.173481D+00  0.151405D+01  0.111860D+01
      5   0.188545D+02 -0.261168D+01 -0.388446D+01  0.161186D+00  0.696163D+01
      6  -0.176282D+02 -0.528096D+01  0.535671D+00  0.581915D+00 -0.461605D+00
               121           122           123           124           125 
      1  -0.272773D-01 -0.532168D+01  0.591899D+00 -0.403485D+01  0.117265D+01
      2  -0.409277D+00  0.815202D+00  0.170232D+01  0.519380D+01  0.837002D+00
      3   0.436555D+00  0.450648D+01 -0.229422D+01 -0.115896D+01 -0.200966D+01
      4   0.150874D+01  0.155768D+01 -0.201063D+01  0.112912D+01 -0.247736D+01
      5  -0.531940D+00 -0.265316D+01  0.210069D+01  0.714890D+01  0.139913D+01
      6   0.182333D+00 -0.296375D+00  0.808841D+01  0.741170D+00  0.492611D+01
               126           127           128           129           130 
      1  -0.224552D+02  0.102336D+02 -0.765435D+01 -0.251900D+01 -0.521616D+00
      2  -0.196857D+02  0.123339D+01  0.195943D+02  0.385326D+01  0.997832D+01
      3   0.421409D+02 -0.114670D+02 -0.119399D+02 -0.133426D+01 -0.945671D+01
      4   0.168808D+01  0.166210D+02  0.228943D+02 -0.342513D+01  0.196064D+02
      5  -0.216964D+02 -0.287595D+01  0.508223D+00  0.730912D+01 -0.397952D+00
      6   0.250718D+01 -0.382486D+01  0.101790D+01  0.595741D+01  0.284780D+00
               131           132           133           134           135 
      1   0.158118D+02  0.108980D+02 -0.450941D+01  0.177814D+02  0.102301D+01
      2  -0.177525D+02 -0.149316D+02  0.330898D+00 -0.306580D+02 -0.591365D+01
      3   0.194072D+01  0.403360D+01  0.417851D+01  0.128766D+02  0.489064D+01
      4   0.972164D+01 -0.566535D+01 -0.972365D+01 -0.168167D+02  0.359493D+01
      5  -0.732962D+01  0.469968D+00  0.664178D+01  0.307717D+00 -0.421217D+01
      6  -0.209029D+02  0.354999D+01  0.584059D+01  0.302510D+01 -0.959544D+01
               136           137           138           139           140 
      1   0.171945D+01 -0.225033D+00  0.235854D+01 -0.123710D+01 -0.211933D+01
      2  -0.502651D+01  0.232063D+00 -0.284499D+01  0.209577D+01 -0.781866D+00
      3   0.330706D+01 -0.703001D-02  0.486450D+00 -0.858671D+00  0.290120D+01
      4   0.140761D+01  0.337828D+01  0.342566D+01  0.348864D+01  0.378400D+00
      5   0.580556D+01  0.103098D+01  0.105641D+02 -0.589625D+00  0.282855D+01
      6   0.353979D+01  0.869025D+00  0.272255D+01  0.104165D+01  0.209412D+01
               141           142           143           144           145 
      1  -0.101938D+01  0.263112D+00 -0.258487D+01 -0.151330D+02  0.238024D+02
      2   0.386651D+01 -0.450166D+01  0.312627D+01 -0.195011D+02 -0.377025D+01
      3  -0.284713D+01  0.423855D+01 -0.541404D+00  0.346340D+02 -0.200321D+02
      4   0.221291D+01  0.560518D+01  0.516912D+01  0.237296D+01 -0.387574D+02
      5  -0.256110D+01  0.101222D+02  0.187762D+01  0.227472D+02 -0.663401D+01
      6   0.522127D+01  0.454551D+01  0.562123D+01  0.214812D+02  0.245126D+01
               146           147           148           149           150 
      1  -0.343786D+01 -0.384629D+00 -0.190083D+01  0.101180D+01  0.390285D+00
      2  -0.773306D+01  0.661629D-01 -0.380336D+01  0.502376D+01 -0.111189D+00
      3   0.111709D+02  0.318466D+00  0.570420D+01 -0.603556D+01 -0.279096D+00
      4   0.219020D+02  0.397541D+01  0.119241D+02 -0.851373D+01 -0.811967D+00
      5   0.323857D+01  0.487180D+01  0.123266D+01 -0.601859D+00 -0.169142D+01
      6  -0.308659D+01 -0.540792D+01 -0.131951D+01  0.471813D+00  0.167969D+01
               151           152           153           154           155 
      1   0.930402D+00  0.215387D+00  0.446600D+00  0.344770D+02  0.156121D+02
      2   0.809161D-01 -0.865078D+00 -0.756475D+00 -0.177394D+02 -0.784917D+01
      3  -0.101132D+01  0.649691D+00  0.309875D+00 -0.167377D+02 -0.776296D+01
      4  -0.686959D+00  0.459170D+00 -0.398836D+01  0.163048D+02  0.146069D+02
      5   0.516643D+01 -0.247208D+01 -0.136404D+01 -0.620738D+01 -0.351960D+01
      6  -0.360537D+01  0.380986D+01  0.202907D+01 -0.118220D+01 -0.759633D+00
               156           157           158           159           160 
      1  -0.532217D+01  0.285175D+02  0.147092D+02 -0.422384D+01 -0.924582D+01
      2   0.245955D+01 -0.145916D+02 -0.535392D+01  0.202633D+01  0.561448D+01
      3   0.286263D+01 -0.139259D+02 -0.935526D+01  0.219752D+01  0.363133D+01
      4  -0.299118D+01  0.199535D+02  0.203150D+02 -0.507273D+01 -0.514804D+01
      5   0.694543D+01 -0.564716D+01 -0.557789D+01  0.630286D+01  0.960385D+01
      6   0.935283D+00 -0.189657D+01 -0.154220D+01  0.153549D+01  0.188428D+01
               161           162           163           164           165 
      1  -0.483427D+01  0.554479D+01 -0.218941D+01  0.844147D+01  0.206813D+00
      2   0.280405D+01 -0.440849D+01  0.376423D+01 -0.122442D+02 -0.154997D+01
      3   0.203022D+01 -0.113629D+01 -0.157482D+01  0.380269D+01  0.134316D+01
      4  -0.609348D+01  0.399090D+01 -0.138817D+01  0.810828D+00  0.119557D+01
      5   0.458652D+01 -0.363290D+01  0.622615D+00 -0.102598D+01 -0.100759D+01
      6   0.270409D+01 -0.130488D+01  0.140610D+01  0.374056D+00 -0.158273D+01
               166           167           168           169           170 
      1   0.339402D+01 -0.288711D+02 -0.217048D+01  0.942827D+00 -0.701815D+01
      2  -0.230622D+01  0.505347D+02  0.584393D+01 -0.665739D+00  0.119345D+02
      3  -0.108780D+01 -0.216636D+02 -0.367345D+01 -0.277088D+00 -0.491631D+01
      4   0.630038D+01  0.141155D+02  0.115734D+01  0.202233D+01  0.418288D+01
      5  -0.111184D+01  0.333615D+01  0.275724D+01  0.966531D+00  0.251073D+01
      6  -0.663367D+00  0.991466D+00  0.653776D+01 -0.401137D+00  0.732788D+01
               171           172           173           174           175 
      1  -0.488667D+01  0.296816D+02  0.934742D+01  0.322128D+01  0.125338D+02
      2   0.516696D+01 -0.182568D+02 -0.757930D+01 -0.585720D+01 -0.981281D+01
      3  -0.280284D+00 -0.114248D+02 -0.176812D+01  0.263592D+01 -0.272097D+01
      4   0.145334D+01 -0.368587D+01  0.134691D+02 -0.657053D+01  0.125406D+02
      5   0.698387D+00  0.163249D+02 -0.391614D+01  0.191924D+02 -0.211326D+01
      6   0.168908D+01 -0.503383D+00  0.809908D+01 -0.693837D+01  0.590465D+01
               176           177           178           179           180 
      1   0.140783D+02 -0.501736D+01  0.634397D+01 -0.781456D+01  0.884968D+01
      2  -0.648046D+01  0.229059D+01 -0.723665D+01  0.275727D+01 -0.180642D+02
      3  -0.759786D+01  0.272677D+01  0.892675D+00  0.505729D+01  0.921455D+01
      4   0.280529D+01  0.275926D+01 -0.706503D+01  0.286251D+00 -0.967679D+01
      5   0.418544D+01  0.390417D+01  0.302704D+02 -0.901042D+01  0.260715D+02
      6   0.379627D+01  0.823515D+00 -0.970880D+01  0.101456D+02 -0.189574D+01
               181           182           183           184           185 
      1   0.330445D+02  0.163059D+02 -0.715031D+01  0.264306D+02  0.141312D+02
      2  -0.178331D+02 -0.876745D+01  0.411597D+01 -0.148794D+02 -0.549988D+01
      3  -0.152115D+02 -0.753842D+01  0.303433D+01 -0.115512D+02 -0.863131D+01
      4   0.147691D+02  0.136091D+02 -0.273720D+01  0.168280D+02  0.204485D+02
      5  -0.107924D+02 -0.472417D+01  0.933564D+01 -0.756157D+01 -0.105719D+02
      6  -0.128703D+01 -0.261619D+01  0.110121D+00 -0.315461D+01 -0.223178D+01
               186           187           188           189           190 
      1  -0.465480D+01 -0.799561D+01 -0.233895D+01  0.636952D+01  0.133142D+02
      2   0.371014D+01  0.575898D+01  0.254399D+01 -0.560254D+01 -0.474931D+01
      3   0.944660D+00  0.223663D+01 -0.205037D+00 -0.766977D+00 -0.856491D+01
      4  -0.863362D+01 -0.277204D+01 -0.630958D+01  0.454704D+01 -0.134602D+02
      5   0.806669D+01  0.126599D+02  0.615616D+01 -0.599172D+01 -0.130609D+02
      6   0.274202D+01  0.939178D+00  0.405876D+01 -0.211513D+01  0.598463D+01
               191           192           193           194           195 
      1  -0.788345D+01 -0.860097D+01 -0.117908D+02  0.441060D+01  0.379594D+00
      2   0.194044D+01  0.416744D+01  0.165093D+01  0.854051D+01  0.336488D+01
      3   0.594300D+01  0.443353D+01  0.101399D+02 -0.129511D+02 -0.374447D+01
      4   0.142048D+02  0.761109D+01  0.250815D+02 -0.332949D+02 -0.192784D+02
      5   0.708297D+01  0.108463D+02  0.131536D+02 -0.205101D+02 -0.217484D+02
      6  -0.432913D+01 -0.418948D+01 -0.892343D+01  0.165740D+02  0.150950D+02
               196           197           198           199           200 
      1  -0.934285D+01  0.251302D+00  0.176019D+01 -0.123047D+01  0.105661D+02
      2   0.548039D+01  0.110107D+01 -0.301080D+01  0.348018D+01 -0.145521D+02
      3   0.386245D+01 -0.135237D+01  0.125061D+01 -0.224971D+01  0.398598D+01
      4   0.113998D+02 -0.157892D+02 -0.165579D+02  0.153187D+01  0.352570D+01
      5   0.173788D+02 -0.175226D+02 -0.236890D+02  0.107135D+01 -0.139376D+00
      6  -0.771151D+01  0.133446D+02  0.145618D+02  0.214482D+01 -0.372900D+01
               201           202           203           204           205 
      1   0.245763D+01  0.295470D+01 -0.358228D+02 -0.776440D+01  0.170057D+01
      2  -0.336404D+01 -0.560452D+00  0.628448D+02  0.128007D+02 -0.881917D+00
      3   0.906404D+00 -0.239425D+01 -0.270219D+02 -0.503634D+01 -0.818651D+00
      4   0.144402D+01  0.723857D+01  0.227174D+02  0.365729D+01  0.333634D+01
      5   0.277155D+00  0.565278D-01  0.653119D+01  0.423644D+01  0.150756D+01
      6  -0.250767D+01 -0.285347D+00  0.164064D+02  0.103358D+02  0.583111D-01
               206           207           208           209           210 
      1  -0.158104D+02 -0.841372D+01 -0.127524D+02 -0.105478D+02  0.764803D+01
      2   0.246420D+02  0.106357D+02  0.821876D+01  0.676087D+01 -0.220284D+01
      3  -0.883154D+01 -0.222199D+01  0.453367D+01  0.378691D+01 -0.544519D+01
      4   0.942133D+01  0.382853D+01  0.193148D+00 -0.540913D+01  0.287468D+01
      5   0.583765D+01  0.267515D+01 -0.146944D+01  0.137482D+01 -0.640636D+01
      6   0.158486D+02  0.764099D+01 -0.306106D+01 -0.627254D+01  0.654038D+01
               211           212           213           214           215 
      1  -0.136791D+02 -0.149330D+02  0.806322D+01  0.626169D+01  0.660605D+01
      2   0.832153D+01  0.134227D+02 -0.583728D+01 -0.280299D+01 -0.364889D+01
      3   0.535757D+01  0.151028D+01 -0.222594D+01 -0.345870D+01 -0.295717D+01
      4   0.112915D+01 -0.116534D+02  0.705132D+01  0.341272D+00  0.543833D+01
      5  -0.137015D+01  0.561674D+01 -0.838062D+01  0.165460D+01 -0.338962D+01
      6  -0.311502D+01 -0.110078D+02  0.907711D+01  0.225145D+01  0.717058D+01
               216 
      1  -0.798230D+01
      2   0.161064D+01
      3   0.637166D+01
      4  -0.308089D+01
      5   0.757584D+01
      6  -0.705369D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x         -0.950150D+00     -0.241504D+01     -0.805570D+01
   y         -0.753182D+00     -0.191440D+01     -0.638574D+01
   z         -0.616387D+00     -0.156670D+01     -0.522595D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.102931D+03      0.152528D+02      0.169710D+02
   yx         0.159990D+01      0.237081D+00      0.263788D+00
   yy         0.962713D+02      0.142659D+02      0.158730D+02
   zx        -0.238553D+01     -0.353498D+00     -0.393320D+00
   zy         0.473170D+00      0.701166D-01      0.780152D-01
   zz         0.796384D+02      0.118012D+02      0.131306D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102705D+03      0.152192D+02      0.169337D+02
   aniso      0.219176D+02      0.324786D+01      0.361373D+01
   xx         0.113169D+03      0.167699D+02      0.186590D+02
   yx         0.122054D+01      0.180865D+00      0.201240D+00
   yy         0.106023D+03      0.157110D+02      0.174809D+02
   zx        -0.182912D+01     -0.271048D+00     -0.301581D+00
   zy         0.219935D+00      0.325910D-01      0.362624D-01
   zz         0.889215D+02      0.131768D+02      0.146612D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.39912675         -2.33431250         -0.04836402
     6         -2.30070132         -0.37188228          1.83434586
     6          0.29378760         -1.13896378         -2.03439620
     6          2.43542261          0.33495594         -0.77793958
     8          1.42932261          2.10928497          1.00144991
     6         -0.02703671          0.99390709          2.94675882
     8         -3.44426995         -3.50862369         -1.33194071
     1         -0.29941926         -3.76670575          0.97659628
     8         -3.71124891         -1.65924929          3.71916855
     1         -3.47132257          1.03635577          0.86578007
     1         -0.83204797          0.17328991         -3.17245860
     8          1.41355402         -3.01318805         -3.58987134
     6          3.98327536          1.87221410         -2.64395036
     1          3.68737216         -1.01074969          0.18802768
     8         -0.93666660          2.89708927          4.52422072
     1          1.15953638         -0.35088512          4.00280117
     1         -4.57680800         -4.18144818         -0.07174569
     1         -4.31416890         -0.42232833          4.91377704
     1          0.06420821         -4.05384447         -4.23818998
     8          2.52259535          3.76229577         -3.85298949
     1          4.69744744          0.62466809         -4.11594978
     1          5.59227212          2.70631076         -1.63962307
     1          0.46053870          3.65610318          5.41331163
     1          1.73239876          4.75285329         -2.54136350

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136015D+01      0.345715D+01      0.115318D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.929163D+02      0.137688D+02      0.153198D+02
   yx         0.641705D+01      0.950909D+00      0.105803D+01
   yy         0.898541D+02      0.133150D+02      0.148149D+02
   zx        -0.885236D+01     -0.131178D+01     -0.145956D+01
   zy         0.481622D+01      0.713690D+00      0.794088D+00
   zz         0.960701D+02      0.142361D+02      0.158398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.102705D+03      0.152192D+02      0.169337D+02
   aniso      0.219176D+02      0.324786D+01      0.361373D+01
   xx         0.102178D+03      0.151412D+02      0.168468D+02
   yx         0.690894D+01      0.102380D+01      0.113913D+01
   yy         0.100041D+03      0.148246D+02      0.164946D+02
   zx        -0.918171D+01     -0.136059D+01     -0.151386D+01
   zy         0.439510D+01      0.651286D+00      0.724653D+00
   zz         0.105895D+03      0.156920D+02      0.174597D+02

 ----------------------------------------------------------------------
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 A CHEMICAL PHYSICIST MAKES PRECISE MEASUREMENTS ON IMPURE COMPOUNDS.
 A THEORETICAL PHYSICAL CHEMIST MAKES IMPRECISE
     MEASUREMENTS ON PURE COMPOUNDS.
 AN EXPERIMENTAL PHYSICAL CHEMIST MAKES IMPRECISE
     MEASUREMENTS ON IMPURE COMPOUNDS.
 Job cpu time:       0 days  6 hours 49 minutes 52.3 seconds.
 Elapsed time:       0 days  0 hours 52 minutes 10.2 seconds.
 File lengths (MBytes):  RWF=    463 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 12:04:54 2021.
